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The MIT/IEEE/Amazon GraphChallenge encourages community approaches to developing new solutions for analyzing graphs and sparse data derived from social media, sensor feeds, and scientific data to discover relationships between events as they unfold in the field. The anonymized network sensing Graph Challenge seeks to enable large, open, community-based approaches to protecting networks. Many large-scale networking problems can only be solved with community access to very broad data sets with the highest regard for privacy and strong community buy-in. Such approaches often require community-based data sharing. In the broader networking community (commercial, federal, and academia) anonymized source-to-destination traffic matrices with standard data sharing agreements have emerged as a data product that can meet many of these requirements. This challenge provides an opportunity to highlight novel approaches for optimizing the construction and analysis of anonymized traffic matrices using over 100 billion network packets derived from the largest Internet telescope in the world (CAIDA). This challenge specifies the anonymization, construction, and analysis of these traffic matrices. A GraphBLAS reference implementation is provided, but the use of GraphBLAS is not required in this Graph Challenge. As with prior Graph Challenges the goal is to provide a well-defined context for demonstrating innovation. Graph Challenge participants are free to select (with accompanying explanation) the Graph Challenge elements that are appropriate for highlighting their innovations., Comment: Accepted to IEEE HPEC 2024

Graph Neural Networks (GNNs) offer a compact and computationally efficient way to learn embeddings and classifications on graph data. GNN models are frequently large, making distributed minibatch training necessary. The primary contribution of this paper is new methods for reducing communication in the sampling step for distributed GNN training. Here, we propose a matrix-based bulk sampling approach that expresses sampling as a sparse matrix multiplication (SpGEMM) and samples multiple minibatches at once. When the input graph topology does not fit on a single device, our method distributes the graph and use communication-avoiding SpGEMM algorithms to scale GNN minibatch sampling, enabling GNN training on much larger graphs than those that can fit into a single device memory. When the input graph topology (but not the embeddings) fits in the memory of one GPU, our approach (1) performs sampling without communication, (2) amortizes the overheads of sampling a minibatch, and (3) can represent multiple sampling algorithms by simply using different matrix constructions. In addition to new methods for sampling, we introduce a pipeline that uses our matrix-based bulk sampling approach to provide end-to-end training results. We provide experimental results on the largest Open Graph Benchmark (OGB) datasets on $128$ GPUs, and show that our pipeline is $2.5\times$ faster than Quiver (a distributed extension to PyTorch-Geometric) on a $3$-layer GraphSAGE network. On datasets outside of OGB, we show a $8.46\times$ speedup on $128$ GPUs in per-epoch time. Finally, we show scaling when the graph is distributed across GPUs and scaling for both node-wise and layer-wise sampling algorithms., Comment: Proceedings of Machine Learning and Systems

This paper introduces the batch-parallel Compressed Packed Memory Array (CPMA), a compressed, dynamic, ordered set data structure based on the Packed Memory Array (PMA). Traditionally, batch-parallel sets are built on pointer-based data structures such as trees because pointer-based structures enable fast parallel unions via pointer manipulation. When compared with cache-optimized trees, PMAs were slower to update but faster to scan. The batch-parallel CPMA overcomes this tradeoff between updates and scans by optimizing for cache-friendliness. On average, the CPMA achieves 3x faster batch-insert throughput and 4x faster range-query throughput compared with compressed PaC-trees, a state-of-the-art batch-parallel set library based on cache-optimized trees. We further evaluate the CPMA compared with compressed PaC-trees and Aspen, a state-of-the-art system, on a real-world application of dynamic-graph processing. The CPMA is on average 1.2x faster on a suite of graph algorithms and 2x faster on batch inserts when compared with compressed PaC-trees. Furthermore, the CPMA is on average 1.3x faster on graph algorithms and 2x faster on batch inserts compared with Aspen.

Similarity search is one of the most fundamental computations that are regularly performed on ever-increasing protein datasets. Scalability is of paramount importance for uncovering novel phenomena that occur at very large scales. We unleash the power of over 20,000 GPUs on the Summit system to perform all-vs-all protein similarity search on one of the largest publicly available datasets with 405 million proteins, in less than 3.5 hours, cutting the time-to-solution for many use cases from weeks. The variability of protein sequence lengths, as well as the sparsity of the space of pairwise comparisons, make this a challenging problem in distributed memory. Due to the need to construct and maintain a data structure holding indices to all other sequences, this application has a huge memory footprint that makes it hard to scale the problem sizes. We overcome this memory limitation by innovative matrix-based blocking techniques, without introducing additional load imbalance., Comment: 2022 ACM Gordon Bell Prize Finalist

The Internet has never been more important to our society, and understanding the behavior of the Internet is essential. The Center for Applied Internet Data Analysis (CAIDA) Telescope observes a continuous stream of packets from an unsolicited darkspace representing 1/256 of the Internet. During 2019 and 2020 over 40,000,000,000,000 unique packets were collected representing the largest ever assembled public corpus of Internet traffic. Using the combined resources of the Supercomputing Centers at UC San Diego, Lawrence Berkeley National Laboratory, and MIT, the spatial temporal structure of anonymized source-destination pairs from the CAIDA Telescope data has been analyzed with GraphBLAS hierarchical hypersparse matrices. These analyses provide unique insight on this unsolicited Internet darkspace traffic with the discovery of many previously unseen scaling relations. The data show a significant sustained increase in unsolicited traffic corresponding to the start of the COVID19 pandemic, but relatively little change in the underlying scaling relations associated with unique sources, source fan-outs, unique links, destination fan-ins, and unique destinations. This work provides a demonstration of the practical feasibility and benefit of the safe collection and analysis of significant quantities of anonymized Internet traffic., Comment: 8 pages, 9 figures, 2 tables, 43 references, accepted to IEEE HPEC 2021. arXiv admin note: substantial text overlap with arXiv:2008.00307

Combinatorial algorithms such as those that arise in graph analysis, modeling of discrete systems, bioinformatics, and chemistry, are often hard to parallelize. The Combinatorial BLAS library implements key computational primitives for rapid development of combinatorial algorithms in distributed-memory systems. During the decade since its first introduction, the Combinatorial BLAS library has evolved and expanded significantly. This paper details many of the key technical features of Combinatorial BLAS version 2.0, such as communication avoidance, hierarchical parallelism via in-node multithreading, accelerator support via GPU kernels, generalized semiring support, implementations of key data structures and functions, and scalable distributed I/O operations for human-readable files. Our paper also presents several rules of thumb for choosing the right data structures and functions in Combinatorial BLAS 2.0, under various common application scenarios., Comment: To appear in IEEE Transactions on Parallel and Distributed Systems

Can cloud computing infrastructures provide HPC-competitive performance for scientific applications broadly? Despite prolific related literature, this question remains open. Answers are crucial for designing future systems and democratizing high-performance computing. We present a multi-level approach to investigate the performance gap between HPC and cloud computing, isolating different variables that contribute to this gap. Our experiments are divided into (i) hardware and system microbenchmarks and (ii) user application proxies. The results show that today's high-end cloud computing can deliver HPC-competitive performance not only for computationally intensive applications but also for memory- and communication-intensive applications - at least at modest scales - thanks to the high-speed memory systems and interconnects and dedicated batch scheduling now available on some cloud platforms.

We present the design and optimization of a linear solver on General Purpose GPUs for the efficient and high-throughput evaluation of the marginalized graph kernel between pairs of labeled graphs. The solver implements a preconditioned conjugate gradient (PCG) method to compute the solution to a generalized Laplacian equation associated with the tensor product of two graphs. To cope with the gap between the instruction throughput and the memory bandwidth of current generation GPUs, our solver forms the tensor product linear system on-the-fly without storing it in memory when performing matrix-vector dot product operations in PCG. Such on-the-fly computation is accomplished by using threads in a warp to cooperatively stream the adjacency and edge label matrices of individual graphs by small square matrix blocks called tiles, which are then staged in registers and the shared memory for later reuse. Warps across a thread block can further share tiles via the shared memory to increase data reuse. We exploit the sparsity of the graphs hierarchically by storing only non-empty tiles using a coordinate format and nonzero elements within each tile using bitmaps. Besides, we propose a new partition-based reordering algorithm for aggregating nonzero elements of the graphs into fewer but denser tiles to improve the efficiency of the sparse format. We carry out extensive theoretical analyses on the graph tensor product primitives for tiles of various density and evaluate their performance on synthetic and real-world datasets. Our solver delivers three to four orders of magnitude speedup over existing CPU-based solvers such as GraKeL and GraphKernels. The capability of the solver enables kernel-based learning tasks at unprecedented scales.

Generalized sparse matrix-matrix multiplication (or SpGEMM) is a key primitive for many high performance graph algorithms as well as for some linear solvers, such as algebraic multigrid. Here we show that SpGEMM also yields efficient algorithms for general sparse-matrix indexing in distributed memory, provided that the underlying SpGEMM implementation is sufficiently flexible and scalable. We demonstrate that our parallel SpGEMM methods, which use two-dimensional block data distributions with serial hypersparse kernels, are indeed highly flexible, scalable, and memory-efficient in the general case. This algorithm is the first to yield increasing speedup on an unbounded number of processors; our experiments show scaling up to thousands of processors in a variety of test scenarios.

Data-intensive, graph-based computations are pervasive in several scientific applications, and are known to to be quite challenging to implement on distributed memory systems. In this work, we explore the design space of parallel algorithms for Breadth-First Search (BFS), a key subroutine in several graph algorithms. We present two highly-tuned parallel approaches for BFS on large parallel systems: a level-synchronous strategy that relies on a simple vertex-based partitioning of the graph, and a two-dimensional sparse matrix-partitioning-based approach that mitigates parallel communication overhead. For both approaches, we also present hybrid versions with intra-node multithreading. Our novel hybrid two-dimensional algorithm reduces communication times by up to a factor of 3.5, relative to a common vertex based approach. Our experimental study identifies execution regimes in which these approaches will be competitive, and we demonstrate extremely high performance on leading distributed-memory parallel systems. For instance, for a 40,000-core parallel execution on Hopper, an AMD Magny-Cours based system, we achieve a BFS performance rate of 17.8 billion edge visits per second on an undirected graph of 4.3 billion vertices and 68.7 billion edges with skewed degree distribution.

Generalized sparse matrix-matrix multiplication is a key primitive for many high performance graph algorithms as well as some linear solvers such as multigrid. We present the first parallel algorithms that achieve increasing speedups for an unbounded number of processors. Our algorithms are based on two-dimensional block distribution of sparse matrices where serial sections use a novel hypersparse kernel for scalability. We give a state-of-the-art MPI implementation of one of our algorithms. Our experiments show scaling up to thousands of processors on a variety of test scenarios.