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Learning Graph Representations with Embedding Propagation

Neural Information Processing Systems

We propose EP, Embedding Propagation, an unsupervised learning framework for graph-structured data. EP learns vector representations of graphs by passing two types of messages between neighboring nodes. Forward messages consist of label representations such as representations of words and other attributes associated with the nodes. Backward messages consist of gradients that result from aggregating the label representations and applying a reconstruction loss. Node representations are finally computed from the representation of their labels. With significantly fewer parameters and hyperparameters, an instance of EP is competitive with and often outperforms state of the art unsupervised and semi-supervised learning methods on a range of benchmark data sets.


QSGD: Communication-Efficient SGD via Gradient Quantization and Encoding

Neural Information Processing Systems

Parallel implementations of stochastic gradient descent (SGD) have received significant research attention, thanks to its excellent scalability properties. A fundamental barrier when parallelizing SGD is the high bandwidth cost of communicating gradient updates between nodes; consequently, several lossy compresion heuristics have been proposed, by which nodes only communicate quantized gradients. Although effective in practice, these heuristics do not always guarantee convergence, and it is not clear whether they can be improved. In this paper, we propose Quantized SGD (QSGD), a family of compression schemes for gradient updates which provides convergence guarantees. QSGD allows the user to smoothly trade off \emph{communication bandwidth} and \emph{convergence time}: nodes can adjust the number of bits sent per iteration, at the cost of possibly higher variance. We show that this trade-off is inherent, in the sense that improving it past some threshold would violate information-theoretic lower bounds. QSGD guarantees convergence for convex and non-convex objectives, under asynchrony, and can be extended to stochastic variance-reduced techniques. When applied to training deep neural networks for image classification and automated speech recognition, QSGD leads to significant reductions in end-to-end training time. For example, on 16GPUs, we can train the ResNet152 network to full accuracy on ImageNet 1.8x faster than the full-precision variant.


On Graph Reconstruction via Empirical Risk Minimization: Fast Learning Rates and Scalability

Neural Information Processing Systems

The problem of predicting connections between a set of data points finds many applications, in systems biology and social network analysis among others. This paper focuses on the \textit{graph reconstruction} problem, where the prediction rule is obtained by minimizing the average error over all n(n-1)/2 possible pairs of the n nodes of a training graph. Our first contribution is to derive learning rates of order O(log n / n) for this problem, significantly improving upon the slow rates of order O(1/ n) established in the seminal work of Biau & Bleakley (2006). Strikingly, these fast rates are universal, in contrast to similar results known for other statistical learning problems (e.g., classification, density level set estimation, ranking, clustering) which require strong assumptions on the distribution of the data.


Reconstructing Parameters of Spreading Models from Partial Observations

Neural Information Processing Systems

Spreading processes are often modelled as a stochastic dynamics occurring on top of a given network with edge weights corresponding to the transmission probabilities. Knowledge of veracious transmission probabilities is essential for prediction, optimization, and control of diffusion dynamics. Unfortunately, in most cases the transmission rates are unknown and need to be reconstructed from the spreading data. Moreover, in realistic settings it is impossible to monitor the state of each node at every time, and thus the data is highly incomplete. We introduce an efficient dynamic message-passing algorithm, which is able to reconstruct parameters of the spreading model given only partial information on the activation times of nodes in the network. The method is generalizable to a large class of dynamic models, as well to the case of temporal graphs.


Hierarchical Graph Representation Learning with Differentiable Pooling

Neural Information Processing Systems

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark datasets.


Single-Agent Policy Tree Search With Guarantees

Neural Information Processing Systems

We introduce two novel tree search algorithms that use a policy to guide search. The first algorithm is a best-first enumeration that uses a cost function that allows us to provide an upper bound on the number of nodes to be expanded before reaching a goal state. We show that this best-first algorithm is particularly well suited for ``needle-in-a-haystack'' problems. The second algorithm, which is based on sampling, provides an upper bound on the expected number of nodes to be expanded before reaching a set of goal states. We show that this algorithm is better suited for problems where many paths lead to a goal. We validate these tree search algorithms on 1,000 computer-generated levels of Sokoban, where the policy used to guide search comes from a neural network trained using A3C. Our results show that the policy tree search algorithms we introduce are competitive with a state-of-the-art domain-independent planner that uses heuristic search.



Found Graph Data and Planted Vertex Covers

Neural Information Processing Systems

A typical way in which network data is recorded is to measure all interactions involving a specified set of core nodes, which produces a graph containing this core together with a potentially larger set of fringe nodes that link to the core. Interactions between nodes in the fringe, however, are not present in the resulting graph data. For example, a phone service provider may only record calls in which at least one of the participants is a customer; this can include calls between a customer and a non-customer, but not between pairs of non-customers. Knowledge of which nodes belong to the core is crucial for interpreting the dataset, but this metadata is unavailable in many cases, either because it has been lost due to difficulties in data provenance, or because the network consists of found data obtained in settings such as counter-surveillance. This leads to an algorithmic problem of recovering the core set. Since the core is a vertex cover, we essentially have a planted vertex cover problem, but with an arbitrary underlying graph. We develop a framework for analyzing this planted vertex cover problem, based on the theory of fixed-parameter tractability, together with algorithms for recovering the core. Our algorithms are fast, simple to implement, and out-perform several baselines based on core-periphery structure on various real-world datasets.


Low-degree Lower bounds for clustering in moderate dimension

Carpentier, Alexandra, Verzelen, Nicolas

arXiv.org Machine Learning

We study the fundamental problem of clustering $n$ points into $K$ groups drawn from a mixture of isotropic Gaussians in $\mathbb{R}^d$. Specifically, we investigate the requisite minimal distance $Δ$ between mean vectors to partially recover the underlying partition. While the minimax-optimal threshold for $Δ$ is well-established, a significant gap exists between this information-theoretic limit and the performance of known polynomial-time procedures. Although this gap was recently characterized in the high-dimensional regime ($n \leq dK$), it remains largely unexplored in the moderate-dimensional regime ($n \geq dK$). In this manuscript, we address this regime by establishing a new low-degree polynomial lower bound for the moderate-dimensional case when $d \geq K$. We show that while the difficulty of clustering for $n \leq dK$ is primarily driven by dimension reduction and spectral methods, the moderate-dimensional regime involves more delicate phenomena leading to a "non-parametric rate". We provide a novel non-spectral algorithm matching this rate, shedding new light on the computational limits of the clustering problem in moderate dimension.


An Enhanced Projection Pursuit Tree Classifier with Visual Methods for Assessing Algorithmic Improvements

da Silva, Natalia, Cook, Dianne, Lee, Eun-Kyung

arXiv.org Machine Learning

This paper presents enhancements to the projection pursuit tree classifier and visual diagnostic methods for assessing their impact in high dimensions. The original algorithm uses linear combinations of variables in a tree structure where depth is constrained to be less than the number of classes -- a limitation that proves too rigid for complex classification problems. Our extensions improve performance in multi-class settings with unequal variance-covariance structures and nonlinear class separations by allowing more splits and more flexible class groupings in the projection pursuit computation. Proposing algorithmic improvements is straightforward; demonstrating their actual utility is not. We therefore develop two visual diagnostic approaches to verify that the enhancements perform as intended. Using high-dimensional visualization techniques, we examine model fits on benchmark datasets to assess whether the algorithm behaves as theorized. An interactive web application enables users to explore the behavior of both the original and enhanced classifiers under controlled scenarios. The enhancements are implemented in the R package PPtreeExt.