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Higher-order graph neural networks (HOGNNs) are an important class of GNN models that harness polyadic relations between vertices beyond plain edges. They have been used to eliminate issues such as over-smoothing or over-squashing, to significantly enhance the accuracy of GNN predictions, to improve the expressiveness of GNN architectures, and for numerous other goals. A plethora of HOGNN models have been introduced, and they come with diverse neural architectures, and even with different notions of what the "higher-order" means. This richness makes it very challenging to appropriately analyze and compare HOGNN models, and to decide in what scenario to use specific ones. To alleviate this, we first design an in-depth taxonomy and a blueprint for HOGNNs. This facilitates designing models that maximize performance. Then, we use our taxonomy to analyze and compare the available HOGNN models. The outcomes of our analysis are synthesized in a set of insights that help to select the most beneficial GNN model in a given scenario, and a comprehensive list of challenges and opportunities for further research into more powerful HOGNNs.

Retrieval Augmented Generation (RAG) enhances the abilities of Large Language Models (LLMs) by enabling the retrieval of documents into the LLM context to provide more accurate and relevant responses. Existing RAG solutions do not focus on queries that may require fetching multiple documents with substantially different contents. Such queries occur frequently, but are challenging because the embeddings of these documents may be distant in the embedding space, making it hard to retrieve them all. This paper introduces Multi-Head RAG (MRAG), a novel scheme designed to address this gap with a simple yet powerful idea: leveraging activations of Transformer's multi-head attention layer, instead of the decoder layer, as keys for fetching multi-aspect documents. The driving motivation is that different attention heads can learn to capture different data aspects. Harnessing the corresponding activations results in embeddings that represent various facets of data items and queries, improving the retrieval accuracy for complex queries. We provide an evaluation methodology and metrics, synthetic datasets, and real-world use cases to demonstrate MRAG's effectiveness, showing improvements of up to 20% in relevance over standard RAG baselines. MRAG can be seamlessly integrated with existing RAG frameworks and benchmarking tools like RAGAS as well as different classes of data stores.

Large Language Models (LLMs) are revolutionizing various domains, yet verifying their answers remains a significant challenge, especially for intricate open-ended tasks such as consolidation, summarization, and extraction of knowledge. In this work, we propose CheckEmbed: an accurate, scalable, and simple LLM verification approach. CheckEmbed is driven by a straightforward yet powerful idea: in order to compare LLM solutions to one another or to the ground-truth, compare their corresponding answer-level embeddings obtained with a model such as GPT Text Embedding Large. This reduces a complex textual answer to a single embedding, facilitating straightforward, fast, and meaningful verification. We develop a comprehensive verification pipeline implementing the CheckEmbed methodology. The CheckEmbed pipeline also comes with metrics for assessing the truthfulness of the LLM answers, such as embedding heatmaps and their summaries. We show how to use these metrics for deploying practical engines that decide whether an LLM answer is satisfactory or not. We apply the pipeline to real-world document analysis tasks, including term extraction and document summarization, showcasing significant improvements in accuracy, cost-effectiveness, and runtime performance compared to existing token-, sentence-, and fact-level schemes such as BERTScore or SelfCheckGPT.

Contemporary accelerator designs exhibit a high degree of spatial localization, wherein two-dimensional physical distance determines communication costs between processing elements. This situation presents considerable algorithmic challenges, particularly when managing sparse data, a pivotal component in progressing data science. The spatial computer model quantifies communication locality by weighting processor communication costs by distance, introducing a term named energy. Moreover, it integrates depth, a widely-utilized metric, to promote high parallelism. We propose and analyze a framework for efficient spatial tree algorithms within the spatial computer model. Our primary method constructs a spatial tree layout that optimizes the locality of the neighbors in the compute grid. This approach thereby enables locality-optimized messaging within the tree. Our layout achieves a polynomial factor improvement in energy compared to utilizing a PRAM approach. Using this layout, we develop energy-efficient treefix sum and lowest common ancestor algorithms, which are both fundamental building blocks for other graph algorithms. With high probability, our algorithms exhibit near-linear energy and poly-logarithmic depth. Our contributions augment a growing body of work demonstrating that computations can have both high spatial locality and low depth. Moreover, our work constitutes an advancement in the spatial layout of irregular and sparse computations., Comment: to appear at IPDPS 2024

We propose a novel approach to iterated sparse matrix dense matrix multiplication, a fundamental computational kernel in scientific computing and graph neural network training. In cases where matrix sizes exceed the memory of a single compute node, data transfer becomes a bottleneck. An approach based on dense matrix multiplication algorithms leads to suboptimal scalability and fails to exploit the sparsity in the problem. To address these challenges, we propose decomposing the sparse matrix into a small number of highly structured matrices called arrow matrices, which are connected by permutations. Our approach enables communication-avoiding multiplications, achieving a polynomial reduction in communication volume per iteration for matrices corresponding to planar graphs and other minor-excluded families of graphs. Our evaluation demonstrates that our approach outperforms a state-of-the-art method for sparse matrix multiplication on matrices with hundreds of millions of rows, offering near-linear strong and weak scaling.

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt engineering coupled with structures has emerged as a promising paradigm, with designs such as Chain-of-Thought, Tree of Thoughts, or Graph of Thoughts, in which the overall LLM reasoning is guided by a structure such as a graph. As illustrated with numerous examples, this paradigm significantly enhances the LLM's capability to solve numerous tasks, ranging from logical or mathematical reasoning to planning or creative writing. To facilitate the understanding of this growing field and pave the way for future developments, we devise a general blueprint for effective and efficient LLM reasoning schemes. For this, we conduct an in-depth analysis of the prompt execution pipeline, clarifying and clearly defining different concepts. We then build the first taxonomy of structure-enhanced LLM reasoning schemes. We focus on identifying fundamental classes of harnessed structures, and we analyze the representations of these structures, algorithms executed with these structures, and many others. We refer to these structures as reasoning topologies, because their representation becomes to a degree spatial, as they are contained within the LLM context. Our study compares existing prompting schemes using the proposed taxonomy, discussing how certain design choices lead to different patterns in performance and cost. We also outline theoretical underpinnings, relationships between prompting and other parts of the LLM ecosystem such as knowledge bases, and the associated research challenges. Our work will help to advance future prompt engineering techniques.

This report introduces a new family of multimodal models, Gemini, that exhibit remarkable capabilities across image, audio, video, and text understanding. The Gemini family consists of Ultra, Pro, and Nano sizes, suitable for applications ranging from complex reasoning tasks to on-device memory-constrained use-cases. Evaluation on a broad range of benchmarks shows that our most-capable Gemini Ultra model advances the state of the art in 30 of 32 of these benchmarks - notably being the first model to achieve human-expert performance on the well-studied exam benchmark MMLU, and improving the state of the art in every one of the 20 multimodal benchmarks we examined. We believe that the new capabilities of the Gemini family in cross-modal reasoning and language understanding will enable a wide variety of use cases. We discuss our approach toward post-training and deploying Gemini models responsibly to users through services including Gemini, Gemini Advanced, Google AI Studio, and Cloud Vertex AI.

Many graph representation learning (GRL) problems are dynamic, with millions of edges added or removed per second. A fundamental workload in this setting is dynamic link prediction: using a history of graph updates to predict whether a given pair of vertices will become connected. Recent schemes for link prediction in such dynamic settings employ Transformers, modeling individual graph updates as single tokens. In this work, we propose HOT: a model that enhances this line of works by harnessing higher-order (HO) graph structures; specifically, k-hop neighbors and more general subgraphs containing a given pair of vertices. Harnessing such HO structures by encoding them into the attention matrix of the underlying Transformer results in higher accuracy of link prediction outcomes, but at the expense of increased memory pressure. To alleviate this, we resort to a recent class of schemes that impose hierarchy on the attention matrix, significantly reducing memory footprint. The final design offers a sweetspot between high accuracy and low memory utilization. HOT outperforms other dynamic GRL schemes, for example achieving 9%, 7%, and 15% higher accuracy than - respectively - DyGFormer, TGN, and GraphMixer, for the MOOC dataset. Our design can be seamlessly extended towards other dynamic GRL workloads.

Chiplet architectures are a promising paradigm to overcome the scaling challenges of monolithic chips. Chiplets offer heterogeneity, modularity, and cost-effectiveness. The design space of chiplet architectures is huge as there are many degrees of freedom such as the number, size and placement of chiplets, the topology of the inter-chiplet interconnect and many more. Existing tools for cost and performance prediction are often too slow to explore this design space. We present RapidChiplet, a fast, open-source toolchain to predict latency and throughput of the inter-chiplet interconnect, as well as a chip's manufacturing cost and thermal stability.

Novel low-diameter network topologies such as Slim Fly (SF) offer significant cost and power advantages over the established Fat Tree, Clos, or Dragonfly. To spearhead the adoption of low-diameter networks, we design, implement, deploy, and evaluate the first real-world SF installation. We focus on deployment, management, and operational aspects of our test cluster with 200 servers and carefully analyze performance. We demonstrate techniques for simple cabling and cabling validation as well as a novel high-performance routing architecture for InfiniBand-based low-diameter topologies. Our real-world benchmarks show SF's strong performance for many modern workloads such as deep neural network training, graph analytics, or linear algebra kernels. SF outperforms non-blocking Fat Trees in scalability while offering comparable or better performance and lower cost for large network sizes. Our work can facilitate deploying SF while the associated (open-source) routing architecture is fully portable and applicable to accelerate any low-diameter interconnect.

Graph Neural Networks (GNNs) are a powerful tool for handling structured graph data and addressing tasks such as node classification, graph classification, and clustering. However, the sparse nature of GNN computation poses new challenges for performance optimization compared to traditional deep neural networks. We address these challenges by providing a unified view of GNN computation, I/O, and memory. By analyzing the computational graphs of the Graph Convolutional Network (GCN) and Graph Attention (GAT) layers -- two widely used GNN layers -- we propose alternative computation strategies. We present adaptive operator reordering with caching, which achieves a speedup of up to 2.43x for GCN compared to the current state-of-the-art. Furthermore, an exploration of different caching schemes for GAT yields a speedup of up to 1.94x. The proposed optimizations save memory, are easily implemented across various hardware platforms, and have the potential to alleviate performance bottlenecks in training large-scale GNN models.

We introduce Graph of Thoughts (GoT): a framework that advances prompting capabilities in large language models (LLMs) beyond those offered by paradigms such as Chain-of-Thought or Tree of Thoughts (ToT). The key idea and primary advantage of GoT is the ability to model the information generated by an LLM as an arbitrary graph, where units of information ("LLM thoughts") are vertices, and edges correspond to dependencies between these vertices. This approach enables combining arbitrary LLM thoughts into synergistic outcomes, distilling the essence of whole networks of thoughts, or enhancing thoughts using feedback loops. We illustrate that GoT offers advantages over state of the art on different tasks, for example increasing the quality of sorting by 62% over ToT, while simultaneously reducing costs by >31%. We ensure that GoT is extensible with new thought transformations and thus can be used to spearhead new prompting schemes. This work brings the LLM reasoning closer to human thinking or brain mechanisms such as recurrence, both of which form complex networks.

Graph databases (GDBs) are crucial in academic and industry applications. The key challenges in developing GDBs are achieving high performance, scalability, programmability, and portability. To tackle these challenges, we harness established practices from the HPC landscape to build a system that outperforms all past GDBs presented in the literature by orders of magnitude, for both OLTP and OLAP workloads. For this, we first identify and crystallize performance-critical building blocks in the GDB design, and abstract them into a portable and programmable API specification, called the Graph Database Interface (GDI), inspired by the best practices of MPI. We then use GDI to design a GDB for distributed-memory RDMA architectures. Our implementation harnesses one-sided RDMA communication and collective operations, and it offers architecture-independent theoretical performance guarantees. The resulting design achieves extreme scales of more than a hundred thousand cores. Our work will facilitate the development of next-generation extreme-scale graph databases., Comment: Best Paper Finalist at ACM Supercomputing '23 (SC '23)

In this paper, we present PolarStar, a novel family of diameter-3 network topologies derived from the star product of two low-diameter factor graphs. The proposed PolarStar construction gives the largest known diameter-3 network topologies for almost all radixes. When compared to state-of-the-art diameter-3 networks, PolarStar achieves 31% geometric mean increase in scale over Bundlefly, 91% over Dragonfly, and 690% over 3-D HyperX. PolarStar has many other desirable properties including a modular layout, large bisection, high resilience to link failures and a large number of feasible sizes for every radix. Our evaluation shows that it exhibits comparable or better performance than other diameter-3 networks under various traffic patterns., Comment: 13 pages, 13 figures, 4 tables

2.5D integration is an important technique to tackle the growing cost of manufacturing chips in advanced technology nodes. This poses the challenge of providing high-performance inter-chiplet interconnects (ICIs). As the number of chiplets grows to tens or hundreds, it becomes infeasible to hand-optimize their arrangement in a way that maximizes the ICI performance. In this paper, we propose HexaMesh, an arrangement of chiplets that outperforms a grid arrangement both in theory (network diameter reduced by 42%; bisection bandwidth improved by 130%) and in practice (latency reduced by 19%; throughput improved by 34%). MexaMesh enables large-scale chiplet designs with high-performance ICIs.

Chips with hundreds to thousands of cores require scalable networks-on-chip (NoCs). Customization of the NoC topology is necessary to reach the diverse design goals of different chips. We introduce sparse Hamming graph, a novel NoC topology with an adjustable costperformance trade-off that is based on four NoC topology design principles we identified. To efficiently customize this topology, we develop a toolchain that leverages approximate floorplanning and link routing to deliver fast and accurate cost and performance predictions. We demonstrate how to use our methodology to achieve desired cost-performance trade-offs while outperforming established topologies in cost, performance, or both.

Graph databases (GDBs) enable processing and analysis of unstructured, complex, rich, and usually vast graph datasets. Despite the large significance of GDBs in both academia and industry, little effort has been made into integrating them with the predictive power of graph neural networks (GNNs). In this work, we show how to seamlessly combine nearly any GNN model with the computational capabilities of GDBs. For this, we observe that the majority of these systems are based on, or support, a graph data model called the Labeled Property Graph (LPG), where vertices and edges can have arbitrarily complex sets of labels and properties. We then develop LPG2vec, an encoder that transforms an arbitrary LPG dataset into a representation that can be directly used with a broad class of GNNs, including convolutional, attentional, message-passing, and even higher-order or spectral models. In our evaluation, we show that the rich information represented as LPG labels and properties is properly preserved by LPG2vec, and it increases the accuracy of predictions regardless of the targeted learning task or the used GNN model, by up to 34% compared to graphs with no LPG labels/properties. In general, LPG2vec enables combining predictive power of the most powerful GNNs with the full scope of information encoded in the LPG model, paving the way for neural graph databases, a class of systems where the vast complexity of maintained data will benefit from modern and future graph machine learning methods.

Important graph mining problems such as Clustering are computationally demanding. To significantly accelerate these problems, we propose ProbGraph: a graph representation that enables simple and fast approximate parallel graph mining with strong theoretical guarantees on work, depth, and result accuracy. The key idea is to represent sets of vertices using probabilistic set representations such as Bloom filters. These representations are much faster to process than the original vertex sets thanks to vectorizability and small size. We use these representations as building blocks in important parallel graph mining algorithms such as Clique Counting or Clustering. When enhanced with ProbGraph, these algorithms significantly outperform tuned parallel exact baselines (up to nearly 50x on 32 cores) while ensuring accuracy of more than 90% for many input graph datasets. Our novel bounds and algorithms based on probabilistic set representations with desirable statistical properties are of separate interest for the data analytics community., Comment: Best Paper Award at ACM/IEEE Supercomputing'22 (SC22)

In this paper we present PolarFly, a diameter-2 network topology based on the Erdos-Renyi family of polarity graphs from finite geometry. This is a highly scalable low-diameter topology that asymptotically reaches the Moore bound on the number of nodes for a given network degree and diameter PolarFly achieves high Moore bound efficiency even for the moderate radixes commonly seen in current and near-future routers, reaching more than 96% of the theoretical peak. It also offers more feasible router degrees than the state-of-the-art solutions, greatly adding to the selection of scalable diameter-2 networks. PolarFly enjoys many other topological properties highly relevant in practice, such as a modular design and expandability that allow incremental growth in network size without rewiring the whole network. Our evaluation shows that PolarFly outperforms competitive networks in terms of scalability, cost and performance for various traffic patterns., Comment: In Proceedings of International Conference for High Performance Computing, Networking, Storage, and Analysis (SC) 2022

High-performance clusters and datacenters pose increasingly demanding requirements on storage systems. If these systems do not operate at scale, applications are doomed to become I/O bound and waste compute cycles. To accelerate the data path to remote storage nodes, remote direct memory access (RDMA) has been embraced by storage systems to let data flow from the network to storage targets, reducing overall latency and CPU utilization. Yet, this approach still involves CPUs on the data path to enforce storage policies such as authentication, replication, and erasure coding. We show how storage policies can be offloaded to fully programmable SmartNICs, without involving host CPUs. By using PsPIN, an open-hardware SmartNIC, we show latency improvements for writes (up to 2x), data replication (up to 2x), and erasure coding (up to 2x), when compared to respective CPU- and RDMA-based alternatives.

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy. However, both inference and training of GNNs are complex, and they uniquely combine the features of irregular graph processing with dense and regular computations. This complexity makes it very challenging to execute GNNs efficiently on modern massively parallel architectures. To alleviate this, we first design a taxonomy of parallelism in GNNs, considering data and model parallelism, and different forms of pipelining. Then, we use this taxonomy to investigate the amount of parallelism in numerous GNN models, GNN-driven machine learning tasks, software frameworks, or hardware accelerators. We use the work-depth model, and we also assess communication volume and synchronization. We specifically focus on the sparsity/density of the associated tensors, in order to understand how to effectively apply techniques such as vectorization. We also formally analyze GNN pipelining, and we generalize the established Message-Passing class of GNN models to cover arbitrary pipeline depths, facilitating future optimizations. Finally, we investigate different forms of asynchronicity, navigating the path for future asynchronous parallel GNN pipelines. The outcomes of our analysis are synthesized in a set of insights that help to maximize GNN performance, and a comprehensive list of challenges and opportunities for further research into efficient GNN computations. Our work will help to advance the design of future GNNs.

We present a new parallel model of computation suitable for spatial architectures, for which the energy used for communication heavily depends on the distance of the communicating processors. In our model, processors have locations on a conceptual two-dimensional grid, and their distance therein determines their communication cost. In particular, we introduce the energy cost of a spatial computation, which measures the total distance traveled by all messages, and study the depth of communication, which measures the largest number of hops of a chain of messages. We show matching energy lower- and upper bounds for many foundational problems, including sorting, median selection, and matrix multiplication. Our model does not depend on any parameters other than the input shape and size, simplifying algorithm analysis. We also show how to simulate PRAM algorithms in our model and how to obtain results for a more complex model that introduces the size of the local memories of the processors as a parameter.

Triangle count and local clustering coefficient are two core metrics for graph analysis. They find broad application in analyses such as community detection and link recommendation. Current state-of-the-art solutions suffer from synchronization overheads or expensive pre-computations needed to distribute the graph, achieving limited scaling capabilities. We propose a fully asynchronous implementation for triangle counting and local clustering coefficient based on 1D partitioning, using remote memory accesses for transferring data and avoid synchronization. Additionally, we show how these algorithms present data reuse on remote memory accesses and how the overall communication time can be improved by caching these accesses. Finally, we extend CLaMPI, a software-layer caching system for MPI RMA, to include application-specific scores for cached entries and influence the eviction procedure to improve caching efficiency. Our results show improvements on shared memory, and we achieve 14x speedup from 4 to 64 nodes for the LiveJournal1 graph on distributed memory. Moreover, we demonstrate how caching remote accesses reduces total running time by up to 73% with respect to a non-cached version. Finally, we compare our implementation to TriC, the 2020 graph champion paper, and achieve up to 100x faster results for scale-free graphs., Comment: 11 pages, 10 figures, to be published at IPDPS'22

We present a parallel k-clique listing algorithm with improved work bounds (for the same depth) in sparse graphs with low degeneracy or arboricity. We achieve this by introducing and analyzing a new pruning criterion for a backtracking search. Our algorithm has better asymptotic performance, especially for larger cliques (when k is not constant), where we avoid the straightforwardly exponential runtime growth with respect to the clique size. In particular, for cliques that are a constant factor smaller than the graph's degeneracy, the work improvement is an exponential factor in the clique size compared to previous results. Moreover, we present a low-depth approximation to the community degeneracy (which can be arbitrarily smaller than the degeneracy). This approximation enables a low depth clique listing algorithm whose runtime is parameterized by the community degeneracy.

Matrix factorizations are among the most important building blocks of scientific computing. State-of-the-art libraries, however, are not communication-optimal, underutilizing current parallel architectures. We present novel algorithms for Cholesky and LU factorizations that utilize an asymptotically communication-optimal 2.5D decomposition. We first establish a theoretical framework for deriving parallel I/O lower bounds for linear algebra kernels, and then utilize its insights to derive Cholesky and LU schedules, both communicating N^3/(P*sqrt(M)) elements per processor, where M is the local memory size. The empirical results match our theoretical analysis: our implementations communicate significantly less than Intel MKL, SLATE, and the asymptotically communication-optimal CANDMC and CAPITAL libraries. Our code outperforms these state-of-the-art libraries in almost all tested scenarios, with matrix sizes ranging from 2,048 to 262,144 on up to 512 CPU nodes of the Piz Daint supercomputer, decreasing the time-to-solution by up to three times. Our code is ScaLAPACK-compatible and available as an open-source library., Comment: 15 pages (including references), 11 figures. arXiv admin note: substantial text overlap with arXiv:2010.05975

We present a novel neural architecture to solve graph optimization problems where the solution consists of arbitrary node labels, allowing us to solve hard problems like graph coloring. We train our model using reinforcement learning, specifically policy gradients, which gives us both a greedy and a probabilistic policy. Our architecture builds on a graph attention network and uses several inductive biases to improve solution quality. Our learned deterministic heuristics for graph coloring give better solutions than classical degree-based greedy heuristics and only take seconds to apply to graphs with tens of thousands of vertices. Moreover, our probabilistic policies outperform all greedy state-of-the-art coloring baselines and a machine learning baseline. Finally, we show that our approach also generalizes to other problems by evaluating it on minimum vertex cover and outperforming two greedy heuristics.

The growing size of data center and HPC networks pose unprecedented requirements on the scalability of simulation infrastructure. The ability to simulate such large-scale interconnects on a simple PC would facilitate research efforts. Unfortunately, as we first show in this work, existing shared-memory packet-level simulators do not scale to the sizes of the largest networks considered today. We then illustrate a feasibility analysis and a set of enhancements that enable a simple packet-level htsim simulator to scale to the unprecedented simulation sizes on a single PC. Our code is available online and can be used to design novel schemes in the coming era of omnipresent data centers and HPC clusters.

Link prediction is one of the central problems in graph mining. However, recent studies highlight the importance of higher-order network analysis, where complex structures called motifs are the first-class citizens. We first show that existing link prediction schemes fail to effectively predict motifs. To alleviate this, we establish a general motif prediction problem and we propose several heuristics that assess the chances for a specified motif to appear. To make the scores realistic, our heuristics consider - among others - correlations between links, i.e., the potential impact of some arriving links on the appearance of other links in a given motif. Finally, for highest accuracy, we develop a graph neural network (GNN) architecture for motif prediction. Our architecture offers vertex features and sampling schemes that capture the rich structural properties of motifs. While our heuristics are fast and do not need any training, GNNs ensure highest accuracy of predicting motifs, both for dense (e.g., k-cliques) and for sparse ones (e.g., k-stars). We consistently outperform the best available competitor by more than 10% on average and up to 32% in area under the curve. Importantly, the advantages of our approach over schemes based on uncorrelated link prediction increase with the increasing motif size and complexity. We also successfully apply our architecture for predicting more arbitrary clusters and communities, illustrating its potential for graph mining beyond motif analysis.

Determining I/O lower bounds is a crucial step in obtaining communication-efficient parallel algorithms, both across the memory hierarchy and between processors. Current approaches either study specific algorithms individually, disallow programmatic motifs such as recomputation, or produce asymptotic bounds that exclude important constants. We propose a novel approach for obtaining precise I/O lower bounds on a general class of programs, which we call Simple Overlap Access Programs (SOAP). SOAP analysis covers a wide variety of algorithms, from ubiquitous computational kernels to full scientific computing applications. Using the red-blue pebble game and combinatorial methods, we are able to bound the I/O of the SOAP-induced Computational Directed Acyclic Graph (CDAG), taking into account multiple statements, input/output reuse, and optimal tiling. To deal with programs that are outside of our representation (e.g., non-injective access functions), we describe methods to approximate them with SOAP. To demonstrate our method, we analyze 38 different applications, including kernels from the Polybench benchmark suite, deep learning operators, and -- for the first time -- applications in unstructured physics simulations, numerical weather prediction stencil compositions, and full deep neural networks. We derive tight I/O bounds for several linear algebra kernels, such as Cholesky decomposition, improving the existing reported bounds by a factor of two. For stencil applications, we improve the existing bounds by a factor of up to 14. We implement our method as an open-source tool, which can derive lower bounds directly from provided C code., Comment: 13 pages, 4 figures, published at Proceedings of the 33rd ACM Symposium on Parallelism in Algorithms and Architectures (SPAA'21)

Simple graph algorithms such as PageRank have been the target of numerous hardware accelerators. Yet, there also exist much more complex graph mining algorithms for problems such as clustering or maximal clique listing. These algorithms are memory-bound and thus could be accelerated by hardware techniques such as Processing-in-Memory (PIM). However, they also come with nonstraightforward parallelism and complicated memory access patterns. In this work, we address this problem with a simple yet surprisingly powerful observation: operations on sets of vertices, such as intersection or union, form a large part of many complex graph mining algorithms, and can offer rich and simple parallelism at multiple levels. This observation drives our cross-layer design, in which we (1) expose set operations using a novel programming paradigm, (2) express and execute these operations efficiently with carefully designed set-centric ISA extensions called SISA, and (3) use PIM to accelerate SISA instructions. The key design idea is to alleviate the bandwidth needs of SISA instructions by mapping set operations to two types of PIM: in-DRAM bulk bitwise computing for bitvectors representing high-degree vertices, and near-memory logic layers for integer arrays representing low-degree vertices. Set-centric SISA-enhanced algorithms are efficient and outperform hand-tuned baselines, offering more than 10x speedup over the established Bron-Kerbosch algorithm for listing maximal cliques. We deliver more than 10 SISA set-centric algorithm formulations, illustrating SISA's wide applicability., Comment: Proceedings of the 54th IEEE/ACM International Symposium on Microarchitecture (MICRO'21), 2021

We propose GraphMineSuite (GMS): the first benchmarking suite for graph mining that facilitates evaluating and constructing high-performance graph mining algorithms. First, GMS comes with a benchmark specification based on extensive literature review, prescribing representative problems, algorithms, and datasets. Second, GMS offers a carefully designed software platform for seamless testing of different fine-grained elements of graph mining algorithms, such as graph representations or algorithm subroutines. The platform includes parallel implementations of more than 40 considered baselines, and it facilitates developing complex and fast mining algorithms. High modularity is possible by harnessing set algebra operations such as set intersection and difference, which enables breaking complex graph mining algorithms into simple building blocks that can be separately experimented with. GMS is supported with a broad concurrency analysis for portability in performance insights, and a novel performance metric to assess the throughput of graph mining algorithms, enabling more insightful evaluation. As use cases, we harness GMS to rapidly redesign and accelerate state-of-the-art baselines of core graph mining problems: degeneracy reordering (by up to >2x), maximal clique listing (by up to >9x), k-clique listing (by 1.1x), and subgraph isomorphism (by up to 2.5x), also obtaining better theoretical performance bounds.

Function-as-a-Service (FaaS) is one of the most promising directions for the future of cloud services, and serverless functions have immediately become a new middleware for building scalable and cost-efficient microservices and applications. However, the quickly moving technology hinders reproducibility, and the lack of a standardized benchmarking suite leads to ad-hoc solutions and microbenchmarks being used in serverless research, further complicating metaanalysis and comparison of research solutions. To address this challenge, we propose the Serverless Benchmark Suite: the first benchmark for FaaS computing that systematically covers a wide spectrum of cloud resources and applications. Our benchmark consists of the specification of representative workloads, the accompanying implementation and evaluation infrastructure, and the evaluation methodology that facilitates reproducibility and enables interpretability. We demonstrate that the abstract model of a FaaS execution environment ensures the applicability of our benchmark to multiple commercial providers such as AWS, Azure, and Google Cloud. Our work facilities experimental evaluation of serverless systems, and delivers a standardized, reliable and evolving evaluation methodology of performance, efficiency, scalability and reliability of middleware FaaS platforms., Comment: Extended version of the paper accepted at Middleware 2021

Graphs are by nature unifying abstractions that can leverage interconnectedness to represent, explore, predict, and explain real- and digital-world phenomena. Although real users and consumers of graph instances and graph workloads understand these abstractions, future problems will require new abstractions and systems. What needs to happen in the next decade for big graph processing to continue to succeed?, Comment: 12 pages, 3 figures, collaboration between the large-scale systems and data management communities, work started at the Dagstuhl Seminar 19491 on Big Graph Processing Systems, to be published in the Communications of the ACM

We reduce the cost of communication and synchronization in graph processing by analyzing the fastest way to process graphs: pushing the updates to a shared state or pulling the updates to a private state.We investigate the applicability of this push-pull dichotomy to various algorithms and its impact on complexity, performance, and the amount of used locks, atomics, and reads/writes. We consider 11 graph algorithms, 3 programming models, 2 graph abstractions, and various families of graphs. The conducted analysis illustrates surprising differences between push and pull variants of different algorithms in performance, speed of convergence, and code complexity; the insights are backed up by performance data from hardware counters.We use these findings to illustrate which variant is faster for each algorithm and to develop generic strategies that enable even higher speedups. Our insights can be used to accelerate graph processing engines or libraries on both massively-parallel shared-memory machines as well as distributed-memory systems.

Today's graphs used in domains such as machine learning or social network analysis may contain hundreds of billions of edges. Yet, they are not necessarily stored efficiently, and standard graph representations such as adjacency lists waste a significant number of bits while graph compression schemes such as WebGraph often require time-consuming decompression. To address this, we propose Log(Graph): a graph representation that combines high compression ratios with very low-overhead decompression to enable cheaper and faster graph processing. The key idea is to encode a graph so that the parts of the representation approach or match the respective storage lower bounds. We call our approach "graph logarithmization" because these bounds are usually logarithmic. Our high-performance Log(Graph) implementation based on modern bitwise operations and state-of-the-art succinct data structures achieves high compression ratios as well as performance. For example, compared to the tuned Graph Algorithm Processing Benchmark Suite (GAPBS), it reduces graph sizes by 20-35% while matching GAPBS' performance or even delivering speedups due to reducing amounts of transferred data. It approaches the compression ratio of the established WebGraph compression library while enabling speedups of up to more than 2x. Log(Graph) can improve the design of various graph processing engines or libraries on single NUMA nodes as well as distributed-memory systems.

Developing high-performance and energy-efficient algorithms for maximum matchings is becoming increasingly important in social network analysis, computational sciences, scheduling, and others. In this work, we propose the first maximum matching algorithm designed for FPGAs; it is energy-efficient and has provable guarantees on accuracy, performance, and storage utilization. To achieve this, we forego popular graph processing paradigms, such as vertex-centric programming, that often entail large communication costs. Instead, we propose a substream-centric approach, in which the input stream of data is divided into substreams processed independently to enable more parallelism while lowering communication costs. We base our work on the theory of streaming graph algorithms and analyze 14 models and 28 algorithms. We use this analysis to provide theoretical underpinning that matches the physical constraints of FPGA platforms. Our algorithm delivers high performance (more than 4x speedup over tuned parallel CPU variants), low memory, high accuracy, and effective usage of FPGA resources. The substream-centric approach could easily be extended to other algorithms to offer low-power and high-performance graph processing on FPGAs., Comment: Best Paper finalist at ACM FPGA'19, invited to special issue of ACM TRETS'20

Emerging chips with hundreds and thousands of cores require networks with unprecedented energy/area efficiency and scalability. To address this, we propose Slim NoC (SN): a new on-chip network design that delivers significant improvements in efficiency and scalability compared to the state-of-the-art. The key idea is to use two concepts from graph and number theory, degree-diameter graphs combined with non-prime finite fields, to enable the smallest number of ports for a given core count. SN is inspired by state-of-the-art off-chip topologies; it identifies and distills their advantages for NoC settings while solving several key issues that lead to significant overheads on-chip. SN provides NoC-specific layouts, which further enhance area/energy efficiency. We show how to augment SN with state-of-the-art router microarchitecture schemes such as Elastic Links, to make the network even more scalable and efficient. Our extensive experimental evaluations show that SN outperforms both traditional low-radix topologies (e.g., meshes and tori) and modern high-radix networks (e.g., various Flattened Butterflies) in area, latency, throughput, and static/dynamic power consumption for both synthetic and real workloads. SN provides a promising direction in scalable and energy-efficient NoC topologies.

Vectorization and GPUs will profoundly change graph processing. Traditional graph algorithms tuned for 32- or 64-bit based memory accesses will be inefficient on architectures with 512-bit wide (or larger) instruction units that are already present in the Intel Knights Landing (KNL) manycore CPU. Anticipating this shift, we propose SlimSell: a vectorizable graph representation to accelerate Breadth-First Search (BFS) based on sparse-matrix dense-vector (SpMV) products. SlimSell extends and combines the state-of-the-art SIMD-friendly Sell-C-sigma matrix storage format with tropical, real, boolean, and sel-max semiring operations. The resulting design reduces the necessary storage (by up to 50%) and thus pressure on the memory subsystem. We augment SlimSell with the SlimWork and SlimChunk schemes that reduce the amount of work and improve load balance, further accelerating BFS. We evaluate all the schemes on Intel Haswell multicore CPUs, the state-of-the-art Intel Xeon Phi KNL manycore CPUs, and NVIDIA Tesla GPUs. Our experiments indicate which semiring offers highest speedups for BFS and illustrate that SlimSell accelerates a tuned Graph500 BFS code by up to 33%. This work shows that vectorization can secure high-performance in BFS based on SpMV products; the proposed principles and designs can be extended to other graph algorithms.

Atomic operations (atomics) such as Compare-and-Swap (CAS) or Fetch-and-Add (FAA) are ubiquitous in parallel programming. Yet, performance tradeoffs between these operations and various characteristics of such systems, such as the structure of caches, are unclear and have not been thoroughly analyzed. In this paper we establish an evaluation methodology, develop a performance model, and present a set of detailed benchmarks for latency and bandwidth of different atomics. We consider various state-of-the-art x86 architectures: Intel Haswell, Xeon Phi, Ivy Bridge, and AMD Bulldozer. The results unveil surprising performance relationships between the considered atomics and architectural properties such as the coherence state of the accessed cache lines. One key finding is that all the tested atomics have comparable latency and bandwidth even if they are characterized by different consensus numbers. Another insight is that the hardware implementation of atomics prevents any instruction-level parallelism even if there are no dependencies between the issued operations. Finally, we discuss solutions to the discovered performance issues in the analyzed architectures. Our analysis enables simpler and more effective parallel programming and accelerates data processing on various architectures deployed in both off-the-shelf machines and large compute systems.

We propose a topology-aware distributed Reader-Writer lock that accelerates irregular workloads for supercomputers and data centers. The core idea behind the lock is a modular design that is an interplay of three distributed data structures: a counter of readers/writers in the critical section, a set of queues for ordering writers waiting for the lock, and a tree that binds all the queues and synchronizes writers with readers. Each structure is associated with a parameter for favoring either readers or writers, enabling adjustable performance that can be viewed as a point in a three dimensional parameter space. We also develop a distributed topology-aware MCS lock that is a building block of the above design and improves state-of-the-art MPI implementations. Both schemes use non-blocking Remote Memory Access (RMA) techniques for highest performance and scalability. We evaluate our schemes on a Cray XC30 and illustrate that they outperform state-of-the-art MPI-3 RMA locking protocols by 81% and 73%, respectively. Finally, we use them to accelerate a distributed hashtable that represents irregular workloads such as key-value stores or graph processing., Comment: Best Paper Award at ACM HPDC'16 (1/129)

Remote Memory Access (RMA) is an emerging mechanism for programming high-performance computers and datacenters. However, little work exists on resilience schemes for RMA-based applications and systems. In this paper we analyze fault tolerance for RMA and show that it is fundamentally different from resilience mechanisms targeting the message passing (MP) model. We design a model for reasoning about fault tolerance for RMA, addressing both flat and hierarchical hardware. We use this model to construct several highly-scalable mechanisms that provide efficient low-overhead in-memory checkpointing, transparent logging of remote memory accesses, and a scheme for transparent recovery of failed processes. Our protocols take into account diminishing amounts of memory per core, one of major features of future exascale machines. The implementation of our fault-tolerance scheme entails negligible additional overheads. Our reliability model shows that in-memory checkpointing and logging provide high resilience. This study enables highly-scalable resilience mechanisms for RMA and fills a research gap between fault tolerance and emerging RMA programming models., Comment: Best Paper Finalist (3/130)

We propose Atomic Active Messages (AAM), a mechanism that accelerates irregular graph computations on both shared- and distributed-memory machines. The key idea behind AAM is that hardware transactional memory (HTM) can be used for simple and efficient processing of irregular structures in highly parallel environments. We illustrate techniques such as coarsening and coalescing that enable hardware transactions to considerably accelerate graph processing.We conduct a detailed performance analysis of AAM on Intel Haswell and IBM Blue Gene/Q and we illustrate various performance tradeoffs between different HTM parameters that impact the efficiency of graph processing. AAM can be used to implement abstractions offered by existing programming models and to improve the performance of irregular graph processing codes such as Graph500 or Galois., Comment: Best Paper Award at ACM HPDC'15 (1/116)

Dense linear algebra kernels, such as linear solvers or tensor contractions, are fundamental components of many scientific computing applications. In this work, we present a novel method of deriving parallel I/O lower bounds for this broad family of programs. Based on the X-partitioning abstraction, our method explicitly captures inter-statement dependencies. Applying our analysis to LU factorization, we derive COnfLUX, an LU algorithm with the parallel I/O cost of $N^3 / (P \sqrt{M})$ communicated elements per processor -- only $1/3\times$ over our established lower bound. We evaluate COnfLUX on various problem sizes, demonstrating empirical results that match our theoretical analysis, communicating asymptotically less than Cray ScaLAPACK or SLATE, and outperforming the asymptotically-optimal CANDMC library. Running on $1$,$024$ nodes of Piz Daint, COnfLUX communicates 1.6$\times$ less than the second-best implementation and is expected to communicate 2.1$\times$ less on a full-scale run on Summit., Comment: 13 pages without references, 12 figures, submitted to PPoPP 2021: 26th ACM SIGPLAN Annual Symposium on Principles and Practice of Parallel Programming

We develop the first parallel graph coloring heuristics with strong theoretical guarantees on work and depth and coloring quality. The key idea is to design a relaxation of the vertex degeneracy order, a well-known graph theory concept, and to color vertices in the order dictated by this relaxation. This introduces a tunable amount of parallelism into the degeneracy ordering that is otherwise hard to parallelize. This simple idea enables significant benefits in several key aspects of graph coloring. For example, one of our algorithms ensures polylogarithmic depth and a bound on the number of used colors that is superior to all other parallelizable schemes, while maintaining work-efficiency. In addition to provable guarantees, the developed algorithms have competitive run-times for several real-world graphs, while almost always providing superior coloring quality. Our degeneracy ordering relaxation is of separate interest for algorithms outside the context of coloring.

The recent line of research into topology design focuses on lowering network diameter. Many low-diameter topologies such as Slim Fly or Jellyfish that substantially reduce cost, power consumption, and latency have been proposed. A key challenge in realizing the benefits of these topologies is routing. On one hand, these networks provide shorter path lengths than established topologies such as Clos or torus, leading to performance improvements. On the other hand, the number of shortest paths between each pair of endpoints is much smaller than in Clos, but there is a large number of non-minimal paths between router pairs. This hampers or even makes it impossible to use established multipath routing schemes such as ECMP. In this work, to facilitate high-performance routing in modern networks, we analyze existing routing protocols and architectures, focusing on how well they exploit the diversity of minimal and non-minimal paths. We first develop a taxonomy of different forms of support for multipathing and overall path diversity. Then, we analyze how existing routing schemes support this diversity. Among others, we consider multipathing with both shortest and non-shortest paths, support for disjoint paths, or enabling adaptivity. To address the ongoing convergence of HPC and "Big Data" domains, we consider routing protocols developed for both HPC systems and for data centers as well as general clusters. Thus, we cover architectures and protocols based on Ethernet, InfiniBand, and other HPC networks such as Myrinet. Our review will foster developing future high-performance multipathing routing protocols in supercomputers and data centers.

Modern interconnects offer remote direct memory access (RDMA) features. Yet, most applications rely on explicit message passing for communications albeit their unwanted overheads. The MPI-3.0 standard defines a programming interface for exploiting RDMA networks directly, however, it's scalability and practicability has to be demonstrated in practice. In this work, we develop scalable bufferless protocols that implement the MPI-3.0 specification. Our protocols support scaling to millions of cores with negligible memory consumption while providing highest performance and minimal overheads. To arm programmers, we provide a spectrum of performance models for all critical functions and demonstrate the usability of our library and models with several application studies with up to half a million processes. We show that our design is comparable to, or better than UPC and Fortran Coarrays in terms of latency, bandwidth, and message rate. We also demonstrate application performance improvements with comparable programming complexity., Comment: Best Paper Award at ACM/IEEE Supercomputing'13 (1/92), also Best Student Paper finalist (8/92); source code of foMPI can be downloaded from http://spcl.inf.ethz.ch/Research/Parallel_Programming/foMPI

Graph processing has become an important part of various areas of computing, including machine learning, medical applications, social network analysis, computational sciences, and others. A growing amount of the associated graph processing workloads are dynamic, with millions of edges added or removed per second. Graph streaming frameworks are specifically crafted to enable the processing of such highly dynamic workloads. Recent years have seen the development of many such frameworks. However, they differ in their general architectures (with key details such as the support for the concurrent execution of graph updates and queries, or the incorporated graph data organization), the types of updates and workloads allowed, and many others. To facilitate the understanding of this growing field, we provide the first analysis and taxonomy of dynamic and streaming graph processing. We focus on identifying the fundamental system designs and on understanding their support for concurrency, and for different graph updates as well as analytics workloads. We also crystallize the meaning of different concepts associated with streaming graph processing, such as dynamic, temporal, online, and time-evolving graphs, edge-centric processing, models for the maintenance of updates, and graph databases. Moreover, we provide a bridge with the very rich landscape of graph streaming theory by giving a broad overview of recent theoretical related advances, and by discussing which graph streaming models and settings could be helpful in developing more powerful streaming frameworks and designs. We also outline graph streaming workloads and research challenges.