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We provide faster algorithms for the problem of Gaussian summation, which occurs in many machine learning methods. We develop two new extensions - an O(Dp) Taylor expansion for the Gaussian kernel with rigorous error bounds and a new error control scheme integrating any arbitrary approximation method - within the best discretealgorithmic framework using adaptive hierarchical data structures. We rigorously evaluate these techniques empirically in the context of optimal bandwidth selection in kernel density estimation, revealing the strengths and weaknesses of current state-of-the-art approaches for the first time. Our results demonstrate that the new error control scheme yields improved performance, whereas the series expansion approach is only effective in low dimensions (five or less).
A key challenge in scaling Gaussian Process (GP) regression to massive datasets is that exact inference requires computation with a dense n x n kernel matrix, where n is the number of data points. Significant work focuses on approximating the kernel matrix via interpolation using a smaller set of m inducing points. Structured kernel interpolation (SKI) is among the most scalable methods: by placing inducing points on a dense grid and using structured matrix algebra, SKI achieves per-iteration time of O(n + m log m) for approximate inference. This linear scaling in n enables inference for very large data sets; however the cost is per-iteration, which remains a limitation for extremely large n. We show that the SKI per-iteration time can be reduced to O(m log m) after a single O(n) time precomputation step by reframing SKI as solving a natural Bayesian linear regression problem with a fixed set of m compact basis functions. With per-iteration complexity independent of the dataset size n for a fixed grid, our method scales to truly massive data sets. We demonstrate speedups in practice for a wide range of m and n and apply the method to GP inference on a three-dimensional weather radar dataset with over 100 million points.
Latent position network models are a versatile tool in network science; applications include clustering entities, controlling for causal confounders, and defining priors over unobserved graphs. Estimating each nodes latent position is typically framed as a Bayesian inference problem, with Metropolis within Gibbs being the most popular tool for approximating the posterior distribution. However, it is well-known that Metropolis within Gibbs is inefficient for large networks; the acceptance ratios are expensive to compute, and the resultant posterior draws are highly correlated. In this article, we propose an alternative Markov chain Monte Carlo strategy---defined using a combination of split Hamiltonian Monte Carlo and Firefly Monte Carlo---that leverages the posterior distributions functional form for more efficient posterior computation. We demonstrate that these strategies outperform Metropolis within Gibbs and other algorithms on synthetic networks, as well as on real information-sharing networks of teachers and staff in a school district.
Graph embeddings are a ubiquitous tool for machine learning tasks, such as node classification and link prediction, on graph-structured data. However, computing the embeddings for large-scale graphs is prohibitively inefficient even if we are interested only in a small subset of relevant vertices. To address this, we present an efficient graph coarsening approach, based on Schur complements, for computing the embedding of the relevant vertices. We prove that these embeddings are preserved exactly by the Schur complement graph that is obtained via Gaussian elimination on the non-relevant vertices. As computing Schur complements is expensive, we give a nearly-linear time algorithm that generates a coarsened graph on the relevant vertices that provably matches the Schur complement in expectation in each iteration. Our experiments involving prediction tasks on graphs demonstrate that computing embeddings on the coarsened graph, rather than the entire graph, leads to significant time savings without sacrificing accuracy.
We employ the mathematical programming approach in conjunction with the graph theory to study the structure of correspondent banking networks. Optimizing the network requires decisions to be made to onboard, terminate or restrict the bank relationships to optimize the size and overall risk of the network. This study provides theoretical foundation to detect the components, the removal of which does not affect some key properties of the network such as connectivity and diameter. We find that the correspondent banking networks have a feature we call k-accessibility, which helps to drastically reduce the computational burden required for finding the above mentioned components. We prove a number of fundamental theorems related to k-accessible directed graphs, which should be also applicable beyond the particular problem of financial networks. The theoretical findings are verified through the data from a large international bank.
We reduce training time in convolutional networks (CNNs) with a method that, for some of the mini-batches: a) scales down the resolution of input images via downsampling, and b) reduces the forward pass operations via pooling on the convolution filters. Training is performed in an interleaved fashion; some batches undergo the regular forward and backpropagation passes with original network parameters, whereas others undergo a forward pass with pooled filters and downsampled inputs. Since pooling is differentiable, the gradients of the pooled filters propagate to the original network parameters for a standard parameter update. The latter phase requires fewer floating point operations and less storage due to the reduced spatial dimensions in feature maps and filters. The key idea is that this phase leads to smaller and approximate updates and thus slower learning, but at significantly reduced cost, followed by passes that use the original network parameters as a refinement stage. Deciding how often and for which batches the downsmapling occurs can be done either stochastically or deterministically, and can be defined as a training hyperparameter itself. Experiments on residual architectures show that we can achieve up to 23% reduction in training time with minimal loss in validation accuracy.