MassiveGNN: Efficient Training via Prefetching for Massively Connected Distributed Graphs

Graph Neural Networks (GNN) are indispensable in learning from graph-structured data, yet their rising computational costs, especially on massively connected graphs, pose significant challenges in terms of execution performance. To tackle this, distributed-memory solutions such as partitioning the graph to concurrently train multiple replicas of GNNs are in practice. However, approaches requiring a partitioned graph usually suffer from communication overhead and load imbalance, even under optimal partitioning and communication strategies due to irregularities in the neighborhood minibatch sampling. This paper proposes practical trade-offs for improving the sampling and communication overheads for representation learning on distributed graphs (using popular GraphSAGE architecture) by developing a parameterized continuous prefetch and eviction scheme on top of the state-of-the-art Amazon DistDGL distributed GNN framework, demonstrating about 15-40% improvement in end-to-end training performance on the National Energy Research Scientific Computing Center's (NERSC) Perlmutter supercomputer for various OGB datasets.

The Landscape and Challenges of HPC Research and LLMs

Recently, language models (LMs), especially large language models (LLMs), have revolutionized the field of deep learning. Both encoder-decoder models and prompt-based techniques have shown immense potential for natural language processing and code-based tasks. Over the past several years, many research labs and institutions have invested heavily in high-performance computing, approaching or breaching exascale performance levels. In this paper, we posit that adapting and utilizing such language model-based techniques for tasks in high-performance computing (HPC) would be very beneficial. This study presents our reasoning behind the aforementioned position and highlights how existing ideas can be improved and adapted for HPC tasks.

Accelerating Domain-aware Deep Learning Models with Distributed Training

Recent advances in data-generating techniques led to an explosive growth of geo-spatiotemporal data. In domains such as hydrology, ecology, and transportation, interpreting the complex underlying patterns of spatiotemporal interactions with the help of deep learning techniques hence becomes the need of the hour. However, applying deep learning techniques without domain-specific knowledge tends to provide sub-optimal prediction performance. Secondly, training such models on large-scale data requires extensive computational resources. To eliminate these challenges, we present a novel distributed domain-aware spatiotemporal network that utilizes domain-specific knowledge with improved model performance. Our network consists of a pixel-contribution block, a distributed multiheaded multichannel convolutional (CNN) spatial block, and a recurrent temporal block. We choose flood prediction in hydrology as a use case to test our proposed method. From our analysis, the network effectively predicts high peaks in discharge measurements at watershed outlets with up to 4.1x speedup and increased prediction performance of up to 93\%. Our approach achieved a 12.6x overall speedup and increased the mean prediction performance by 16\%. We perform extensive experiments on a dataset of 23 watersheds in a northern state of the U.S. and present our findings.

Transfer Learning Approaches for Knowledge Discovery in Grid-based Geo-Spatiotemporal Data

Extracting and meticulously analyzing geo-spatiotemporal features is crucial to recognize intricate underlying causes of natural events, such as floods. Limited evidence about hidden factors leading to climate change makes it challenging to predict regional water discharge accurately. In addition, the explosive growth in complex geo-spatiotemporal environment data that requires repeated learning by the state-of-the-art neural networks for every new region emphasizes the need for new computationally efficient methods, advanced computational resources, and extensive training on a massive amount of available monitored data. We, therefore, propose HydroDeep, an effectively reusable pretrained model to address this problem of transferring knowledge from one region to another by effectively capturing their intrinsic geo-spatiotemporal variance. Further, we present four transfer learning approaches on HydroDeep for spatiotemporal interpretability that improve Nash-Sutcliffe efficiency by 9% to 108% in new regions with a 95% reduction in time.

HydroDeep -- A Knowledge Guided Deep Neural Network for Geo-Spatiotemporal Data Analysis

Floods are one of the major climate-related disasters, leading to substantial economic loss and social safety issue. However, the confidence in predicting changes in fluvial floods remains low due to limited evidence and complex causes of regional climate change. The recent development in machine learning techniques has the potential to improve traditional hydrological models by using monitoring data. Although Recurrent Neural Networks (RNN) perform remarkably with multivariate time series data, these models are blinded to the underlying mechanisms represented in a process-based model for flood prediction. While both process-based models and deep learning networks have their strength, understanding the fundamental mechanisms intrinsic to geo-spatiotemporal information is crucial to improve the prediction accuracy of flood occurrence. This paper demonstrates a neural network architecture (HydroDeep) that couples a process-based hydro-ecological model with a combination of Deep Convolutional Neural Network (CNN) and Long Short-Term Memory (LSTM) Network to build a hybrid baseline model. HydroDeep outperforms the performance of both the independent networks by 4.8% and 31.8% respectively in Nash-Sutcliffe efficiency. A trained HydroDeep can transfer its knowledge and can learn the Geo-spatiotemporal features of any new region in minimal training iterations.