Benjamin W. Priest

Keita Iwabuchi, Trevor Steil, Benjamin W. Priest et al.

Neighbor graphs capture relationships among data points and are widely used in data analytics and AI workloads. Many studies have explored approximate construction methods for single-node systems, including GPUs. However, extending this to distributed systems for larger data and further acceleration remains challenging due to irregular computation patterns. We present SOLANET, a GPU-accelerated distributed neighbor graph construction toolkit. SOLANET first constructs local graphs on each GPU after data partitioning and then refines them via approximate nearest neighbor (ANN) searches over remote graphs pulled from other GPUs using MPI one-sided operations. SOLANET also provides a lock-free single-GPU neighbor graph construction algorithm for AMD GPUs. Our single-GPU implementation outperforms a state-of-the-art GPU-based approximate neighbor graph construction implementation across multiple datasets on a single MI300A APU. Furthermore, SOLANET demonstrates 11X speedup from 32 to 512 APUs for 1 billion data points and 6.9x speedup from 64 to 512 APUs for 2 billion points.

Alec M. Dunton, Benjamin W. Priest, Amanda Muyskens

Gaussian processes (GPs) are Bayesian non-parametric models useful in a myriad of applications. Despite their popularity, the cost of GP predictions (quadratic storage and cubic complexity with respect to the number of training points) remains a hurdle in applying GPs to large data. We present a fast posterior mean prediction algorithm called FastMuyGPs to address this shortcoming. FastMuyGPs is based upon the MuyGPs hyperparameter estimation algorithm and utilizes a combination of leave-one-out cross-validation, batching, nearest neighbors sparsification, and precomputation to provide scalable, fast GP prediction. We demonstrate several benchmarks wherein FastMuyGPs prediction attains superior accuracy and competitive or superior runtime to both deep neural networks and state-of-the-art scalable GP algorithms.

Killian Wood, Alec M. Dunton, Amanda Muyskens et al.

Gaussian processes (GPs) are Bayesian non-parametric models popular in a variety of applications due to their accuracy and native uncertainty quantification (UQ). Tuning GP hyperparameters is critical to ensure the validity of prediction accuracy and uncertainty; uniquely estimating multiple hyperparameters in, e.g. the Matern kernel can also be a significant challenge. Moreover, training GPs on large-scale datasets is a highly active area of research: traditional maximum likelihood hyperparameter training requires quadratic memory to form the covariance matrix and has cubic training complexity. To address the scalable hyperparameter tuning problem, we present a novel algorithm which estimates the smoothness and length-scale parameters in the Matern kernel in order to improve robustness of the resulting prediction uncertainties. Using novel loss functions similar to those in conformal prediction algorithms in the computational framework provided by the hyperparameter estimation algorithm MuyGPs, we achieve improved UQ over leave-one-out likelihood maximization while maintaining a high degree of scalability as demonstrated in numerical experiments.

Nate Veldt, Thomas Stanley, Benjamin W. Priest et al.

Finding a minimum spanning tree (MST) for $n$ points in an arbitrary metric space is a fundamental primitive for hierarchical clustering and many other ML tasks, but this takes $Ω(n^2)$ time to even approximate. We introduce a framework for metric MSTs that first (1) finds a forest of disconnected components using practical heuristics, and then (2) finds a small weight set of edges to connect disjoint components of the forest into a spanning tree. We prove that optimally solving the second step still takes $Ω(n^2)$ time, but we provide a subquadratic 2.62-approximation algorithm. In the spirit of learning-augmented algorithms, we then show that if the forest found in step (1) overlaps with an optimal MST, we can approximate the original MST problem in subquadratic time, where the approximation factor depends on a measure of overlap. In practice, we find nearly optimal spanning trees for a wide range of metrics, while being orders of magnitude faster than exact algorithms.

Benjamin W. Priest, Alec Dunton, Geoffrey Sanders

The unsupervised learning of community structure, in particular the partitioning vertices into clusters or communities, is a canonical and well-studied problem in exploratory graph analysis. However, like most graph analyses the introduction of immense scale presents challenges to traditional methods. Spectral clustering in distributed memory, for example, requires hundreds of expensive bulk-synchronous communication rounds to compute an embedding of vertices to a few eigenvectors of a graph associated matrix. Furthermore, the whole computation may need to be repeated if the underlying graph changes some low percentage of edge updates. We present a method inspired by spectral clustering where we instead use matrix sketches derived from random dimension-reducing projections. We show that our method produces embeddings that yield performant clustering results given a fully-dynamic stochastic block model stream using both the fast Johnson-Lindenstrauss and CountSketch transforms. We also discuss the effects of stochastic block model parameters upon the required dimensionality of the subsequent embeddings, and show how random projections could significantly improve the performance of graph clustering in distributed memory.

Imène R. Goumiri, Benjamin W. Priest, Michael D. Schneider

While deep neural networks (DNNs) and Gaussian Processes (GPs) are both popularly utilized to solve problems in reinforcement learning, both approaches feature undesirable drawbacks for challenging problems. DNNs learn complex nonlinear embeddings, but do not naturally quantify uncertainty and are often data-inefficient to train. GPs infer posterior distributions over functions, but popular kernels exhibit limited expressivity on complex and high-dimensional data. Fortunately, recently discovered conjugate and neural tangent kernel functions encode the behavior of overparameterized neural networks in the kernel domain. We demonstrate that these kernels can be efficiently applied to regression and reinforcement learning problems by analyzing a baseline case study. We apply GPs with neural network dual kernels to solve reinforcement learning tasks for the first time. We demonstrate, using the well-understood mountain-car problem, that GPs empowered with dual kernels perform at least as well as those using the conventional radial basis function kernel. We conjecture that by inheriting the probabilistic rigor of GPs and the powerful embedding properties of DNNs, GPs using NN dual kernels will empower future reinforcement learning models on difficult domains.