ENS-10: A Dataset For Post-Processing Ensemble Weather Forecast

Post-processing ensemble prediction systems can improve weather forecasting, especially for extreme event prediction. In recent years, different machine learning models have been developed to improve the quality of the post-processing step. However, these models heavily rely on the data and generating such ensemble members requires multiple runs of numerical weather prediction models, at high computational cost. This paper introduces the ENS-10 dataset, consisting of ten ensemble members spread over 20 years (1998-2017). The ensemble members are generated by perturbing numerical weather simulations to capture the chaotic behavior of the Earth. To represent the three-dimensional state of the atmosphere, ENS-10 provides the most relevant atmospheric variables in 11 distinct pressure levels as well as the surface at 0.5-degree resolution. The dataset targets the prediction correction task at 48-hour lead time, which is essentially improving the forecast quality by removing the biases of the ensemble members. To this end, ENS-10 provides the weather variables for forecast lead times T=0, 24, and 48 hours (two data points per week). We provide a set of baselines for this task on ENS-10 and compare their performance in correcting the prediction of different weather variables. We also assess our baselines for predicting extreme events using our dataset. The ENS-10 dataset is available under the Creative Commons Attribution 4.0 International (CC BY 4.0) licence.

Parallel and Distributed Graph Neural Networks: An In-Depth Concurrency Analysis

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.

Near-Optimal Sparse Allreduce for Distributed Deep Learning

Communication overhead is one of the major obstacles to train large deep learning models at scale. Gradient sparsification is a promising technique to reduce the communication volume. However, it is very challenging to obtain real performance improvement because of (1) the difficulty of achieving an scalable and efficient sparse allreduce algorithm and (2) the sparsification overhead. This paper proposes O$k$-Top$k$, a scheme for distributed training with sparse gradients. O$k$-Top$k$ integrates a novel sparse allreduce algorithm (less than 6$k$ communication volume which is asymptotically optimal) with the decentralized parallel Stochastic Gradient Descent (SGD) optimizer, and its convergence is proved. To reduce the sparsification overhead, O$k$-Top$k$ efficiently selects the top-$k$ gradient values according to an estimated threshold. Evaluations are conducted on the Piz Daint supercomputer with neural network models from different deep learning domains. Empirical results show that O$k$-Top$k$ achieves similar model accuracy to dense allreduce. Compared with the optimized dense and the state-of-the-art sparse allreduces, O$k$-Top$k$ is more scalable and significantly improves training throughput (e.g., 3.29x-12.95x improvement for BERT on 256 GPUs).

A Data-Centric Optimization Framework for Machine Learning

Rapid progress in deep learning is leading to a diverse set of quickly changing models, with a dramatically growing demand for compute. However, as frameworks specialize optimization to patterns in popular networks, they implicitly constrain novel and diverse models that drive progress in research. We empower deep learning researchers by defining a flexible and user-customizable pipeline for optimizing training of arbitrary deep neural networks, based on data movement minimization. The pipeline begins with standard networks in PyTorch or ONNX and transforms computation through progressive lowering. We define four levels of general-purpose transformations, from local intra-operator optimizations to global data movement reduction. These operate on a data-centric graph intermediate representation that expresses computation and data movement at all levels of abstraction, including expanding basic operators such as convolutions to their underlying computations. Central to the design is the interactive and introspectable nature of the pipeline. Every part is extensible through a Python API, and can be tuned interactively using a GUI. We demonstrate competitive performance or speedups on ten different networks, with interactive optimizations discovering new opportunities in EfficientNet.

Chimera: Efficiently Training Large-Scale Neural Networks with Bidirectional Pipelines

Training large deep learning models at scale is very challenging. This paper proposes Chimera, a novel pipeline parallelism scheme which combines bidirectional pipelines for efficiently training large-scale models. Chimera is a synchronous approach and therefore no loss of accuracy, which is more convergence-friendly than asynchronous approaches. Compared with the latest synchronous pipeline approach, Chimera reduces the number of bubbles by up to 50%; benefiting from the sophisticated scheduling of bidirectional pipelines, Chimera has a more balanced activation memory consumption. Evaluations are conducted on Transformer based language models. For a GPT-2 model with 1.3 billion parameters running on 2,048 GPU nodes of the Piz Daint supercomputer, Chimera improves the training throughput by 1.16x-2.34x over the state-of-the-art synchronous and asynchronous pipeline approaches.

Learning Combinatorial Node Labeling Algorithms

We present a graph neural network to learn graph coloring heuristics using reinforcement learning. Our learned deterministic heuristics give better solutions than classical degree-based greedy heuristics and only take seconds to evaluate on graphs with tens of thousands of vertices. As our approach is based on policy-gradients, it also learns a probabilistic policy as well. These probabilistic policies outperform all greedy coloring baselines and a machine learning baseline. Our approach generalizes several previous machine-learning frameworks, which applied to problems like minimum vertex cover. We also demonstrate that our approach outperforms two greedy heuristics on minimum vertex cover.

Motif Prediction with Graph Neural Networks

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.

GraphMineSuite: Enabling High-Performance and Programmable Graph Mining Algorithms with Set Algebra

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.

Sparsity in Deep Learning: Pruning and growth for efficient inference and training in neural networks

The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.

Clairvoyant Prefetching for Distributed Machine Learning I/O

I/O is emerging as a major bottleneck for machine learning training, especially in distributed environments such as clouds and supercomputers. Optimal data ingestion pipelines differ between systems, and increasing efficiency requires a delicate balance between access to local storage, external filesystems, and remote workers; yet existing frameworks fail to efficiently utilize such resources. We observe that, given the seed generating the random access pattern for training with SGD, we have clairvoyance and can exactly predict when a given sample will be accessed. We combine this with a theoretical analysis of access patterns in training and performance modeling to produce a novel machine learning I/O middleware, HDMLP, to tackle the I/O bottleneck. HDMLP provides an easy-to-use, flexible, and scalable solution that delivers better performance than state-of-the-art approaches while requiring very few changes to existing codebases and supporting a broad range of environments.