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Vision Transformers (ViTs) are pivotal for foundational models in scientific imagery, including Earth science applications, due to their capability to process large sequence lengths. While transformers for text has inspired scaling sequence lengths in ViTs, yet adapting these for ViTs introduces unique challenges. We develop distributed sequence parallelism for ViTs, enabling them to handle up to 1M tokens. Our approach, leveraging DeepSpeed-Ulysses and Long-Sequence-Segmentation with model sharding, is the first to apply sequence parallelism in ViT training, achieving a 94% batch scaling efficiency on 2,048 AMD-MI250X GPUs. Evaluating sequence parallelism in ViTs, particularly in models up to 10B parameters, highlighted substantial bottlenecks. We countered these with hybrid sequence, pipeline, tensor parallelism, and flash attention strategies, to scale beyond single GPU memory limits. Our method significantly enhances climate modeling accuracy by 20% in temperature predictions, marking the first training of a transformer model on a full-attention matrix over 188K sequence length.

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.

Transformer models have achieved remarkable success in various machine learning tasks but suffer from high computational complexity and resource requirements. The quadratic complexity of the self-attention mechanism further exacerbates these challenges when dealing with long sequences and large datasets. Specialized AI hardware accelerators, such as the Habana GAUDI architecture, offer a promising solution to tackle these issues. GAUDI features a Matrix Multiplication Engine (MME) and a cluster of fully programmable Tensor Processing Cores (TPC). This paper explores the untapped potential of using GAUDI processors to accelerate Transformer-based models, addressing key challenges in the process. Firstly, we provide a comprehensive performance comparison between the MME and TPC components, illuminating their relative strengths and weaknesses. Secondly, we explore strategies to optimize MME and TPC utilization, offering practical insights to enhance computational efficiency. Thirdly, we evaluate the performance of Transformers on GAUDI, particularly in handling long sequences and uncovering performance bottlenecks. Lastly, we evaluate the end-to-end performance of two Transformer-based large language models (LLM) on GAUDI. The contributions of this work encompass practical insights for practitioners and researchers alike. We delve into GAUDI's capabilities for Transformers through systematic profiling, analysis, and optimization exploration. Our study bridges a research gap and offers a roadmap for optimizing Transformer-based model training on the GAUDI architecture.

Computation in a typical Transformer-based large language model (LLM) can be characterized by batch size, hidden dimension, number of layers, and sequence length. Until now, system works for accelerating LLM training have focused on the first three dimensions: data parallelism for batch size, tensor parallelism for hidden size and pipeline parallelism for model depth or layers. These widely studied forms of parallelism are not targeted or optimized for long sequence Transformer models. Given practical application needs for long sequence LLM, renewed attentions are being drawn to sequence parallelism. However, existing works in sequence parallelism are constrained by memory-communication inefficiency, limiting their scalability to long sequence large models. In this work, we introduce DeepSpeed-Ulysses, a novel, portable and effective methodology for enabling highly efficient and scalable LLM training with extremely long sequence length. DeepSpeed-Ulysses at its core partitions input data along the sequence dimension and employs an efficient all-to-all collective communication for attention computation. Theoretical communication analysis shows that whereas other methods incur communication overhead as sequence length increases, DeepSpeed-Ulysses maintains constant communication volume when sequence length and compute devices are increased proportionally. Furthermore, experimental evaluations show that DeepSpeed-Ulysses trains 2.5x faster with 4x longer sequence length than the existing method SOTA baseline.

Written reflective practice is a regular exercise pre-service teachers perform during their higher education. Usually, their lecturers are expected to provide individual feedback, which can be a challenging task to perform on a regular basis. In this paper, we present the first open-source automated feedback tool based on didactic theory and implemented as a hybrid AI system. We describe the components and discuss the advantages and disadvantages of our system compared to the state-of-art generative large language models. The main objective of our work is to enable better learning outcomes for students and to complement the teaching activities of lecturers., Comment: 2 figures

Collaborative filtering (CF) has been proven to be one of the most effective techniques for recommendation. Among all CF approaches, SimpleX is the state-of-the-art method that adopts a novel loss function and a proper number of negative samples. However, there is no work that optimizes SimpleX on multi-core CPUs, leading to limited performance. To this end, we perform an in-depth profiling and analysis of existing SimpleX implementations and identify their performance bottlenecks including (1) irregular memory accesses, (2) unnecessary memory copies, and (3) redundant computations. To address these issues, we propose an efficient CF training system (called HEAT) that fully enables the multi-level caching and multi-threading capabilities of modern CPUs. Specifically, the optimization of HEAT is threefold: (1) It tiles the embedding matrix to increase data locality and reduce cache misses (thus reduces read latency); (2) It optimizes stochastic gradient descent (SGD) with sampling by parallelizing vector products instead of matrix-matrix multiplications, in particular the similarity computation therein, to avoid memory copies for matrix data preparation; and (3) It aggressively reuses intermediate results from the forward phase in the backward phase to alleviate redundant computation. Evaluation on five widely used datasets with both x86- and ARM-architecture processors shows that HEAT achieves up to 45.2X speedup over existing CPU solution and 4.5X speedup and 7.9X cost reduction in Cloud over existing GPU solution with NVIDIA V100 GPU., Comment: 12 pages, 14 figures, 7 tables, accepted by ACM ICS '23

Low-rank compression is an important model compression strategy for obtaining compact neural network models. In general, because the rank values directly determine the model complexity and model accuracy, proper selection of layer-wise rank is very critical and desired. To date, though many low-rank compression approaches, either selecting the ranks in a manual or automatic way, have been proposed, they suffer from costly manual trials or unsatisfied compression performance. In addition, all of the existing works are not designed in a hardware-aware way, limiting the practical performance of the compressed models on real-world hardware platforms. To address these challenges, in this paper we propose HALOC, a hardware-aware automatic low-rank compression framework. By interpreting automatic rank selection from an architecture search perspective, we develop an end-to-end solution to determine the suitable layer-wise ranks in a differentiable and hardware-aware way. We further propose design principles and mitigation strategy to efficiently explore the rank space and reduce the potential interference problem. Experimental results on different datasets and hardware platforms demonstrate the effectiveness of our proposed approach. On CIFAR-10 dataset, HALOC enables 0.07% and 0.38% accuracy increase over the uncompressed ResNet-20 and VGG-16 models with 72.20% and 86.44% fewer FLOPs, respectively. On ImageNet dataset, HALOC achieves 0.9% higher top-1 accuracy than the original ResNet-18 model with 66.16% fewer FLOPs. HALOC also shows 0.66% higher top-1 accuracy increase than the state-of-the-art automatic low-rank compression solution with fewer computational and memory costs. In addition, HALOC demonstrates the practical speedups on different hardware platforms, verified by the measurement results on desktop GPU, embedded GPU and ASIC accelerator., Comment: AAAI-23

Tucker decomposition is one of the SOTA CNN model compression techniques. However, unlike the FLOPs reduction, we observe very limited inference time reduction with Tucker-compressed models using existing GPU software such as cuDNN. To this end, we propose an efficient end-to-end framework that can generate highly accurate and compact CNN models via Tucker decomposition and optimized inference code on GPUs. Specifically, we propose an ADMM-based training algorithm that can achieve highly accurate Tucker-format models. We also develop a high-performance kernel for Tucker-format convolutions and analytical performance models to guide the selection of execution parameters. We further propose a co-design framework to determine the proper Tucker ranks driven by practical inference time (rather than FLOPs). Our evaluation on five modern CNNs with A100 demonstrates that our compressed models with our optimized code achieve up to 2.21X speedup over cuDNN, 1.12X speedup over TVM, and 3.27X over the original models using cuDNN with at most 0.05% accuracy loss., Comment: 14 pages, 9 figures, 3 tables, accepted by PPoPP '23

CNN-based surrogates have become prevalent in scientific applications to replace conventional time-consuming physical approaches. Although these surrogates can yield satisfactory results with significantly lower computation costs over small training datasets, our benchmarking results show that data-loading overhead becomes the major performance bottleneck when training surrogates with large datasets. In practice, surrogates are usually trained with high-resolution scientific data, which can easily reach the terabyte scale. Several state-of-the-art data loaders are proposed to improve the loading throughput in general CNN training; however, they are sub-optimal when applied to the surrogate training. In this work, we propose SOLAR, a surrogate data loader, that can ultimately increase loading throughput during the training. It leverages our three key observations during the benchmarking and contains three novel designs. Specifically, SOLAR first generates a pre-determined shuffled index list and accordingly optimizes the global access order and the buffer eviction scheme to maximize the data reuse and the buffer hit rate. It then proposes a tradeoff between lightweight computational imbalance and heavyweight loading workload imbalance to speed up the overall training. It finally optimizes its data access pattern with HDF5 to achieve a better parallel I/O throughput. Our evaluation with three scientific surrogates and 32 GPUs illustrates that SOLAR can achieve up to 24.4X speedup over PyTorch Data Loader and 3.52X speedup over state-of-the-art data loaders., Comment: 14 pages, 15 figures, 5 tables, submitted to VLDB '23

Graph Neural Networks (GNNs) have drawn tremendous attention due to their unique capability to extend Machine Learning (ML) approaches to applications broadly-defined as having unstructured data, especially graphs. Compared with other Machine Learning (ML) modalities, the acceleration of Graph Neural Networks (GNNs) is more challenging due to the irregularity and heterogeneity derived from graph typologies. Existing efforts, however, have focused mainly on handling graphs' irregularity and have not studied their heterogeneity. To this end we propose H-GCN, a PL (Programmable Logic) and AIE (AI Engine) based hybrid accelerator that leverages the emerging heterogeneity of Xilinx Versal Adaptive Compute Acceleration Platforms (ACAPs) to achieve high-performance GNN inference. In particular, H-GCN partitions each graph into three subgraphs based on its inherent heterogeneity, and processes them using PL and AIE, respectively. To further improve performance, we explore the sparsity support of AIE and develop an efficient density-aware method to automatically map tiles of sparse matrix-matrix multiplication (SpMM) onto the systolic tensor array. Compared with state-of-the-art GCN accelerators, H-GCN achieves, on average, speedups of 1.1~2.3X., Comment: 8 pages, 8 figures, 4 tables, accepted by FPL'22

Training wide and deep neural networks (DNNs) require large amounts of storage resources such as memory because the intermediate activation data must be saved in the memory during forward propagation and then restored for backward propagation. However, state-of-the-art accelerators such as GPUs are only equipped with very limited memory capacities due to hardware design constraints, which significantly limits the maximum batch size and hence performance speedup when training large-scale DNNs. Traditional memory saving techniques either suffer from performance overhead or are constrained by limited interconnect bandwidth or specific interconnect technology. In this paper, we propose a novel memory-efficient CNN training framework (called COMET) that leverages error-bounded lossy compression to significantly reduce the memory requirement for training, to allow training larger models or to accelerate training. Different from the state-of-the-art solutions that adopt image-based lossy compressors (such as JPEG) to compress the activation data, our framework purposely adopts error-bounded lossy compression with a strict error-controlling mechanism. Specifically, we perform a theoretical analysis on the compression error propagation from the altered activation data to the gradients, and empirically investigate the impact of altered gradients over the training process. Based on these analyses, we optimize the error-bounded lossy compression and propose an adaptive error-bound control scheme for activation data compression. We evaluate our design against state-of-the-art solutions with five widely-adopted CNNs and ImageNet dataset. Experiments demonstrate that our proposed framework can significantly reduce the training memory consumption by up to 13.5X over the baseline training and 1.8X over another state-of-the-art compression-based framework, respectively, with little or no accuracy loss., Comment: 14 pages, 17 figures, accepted by VLDB 2022. arXiv admin note: substantial text overlap with arXiv:2011.09017

As HPC systems continue to grow to exascale, the amount of data that needs to be saved or transmitted is exploding. To this end, many previous works have studied using error-bounded lossy compressors to reduce the data size and improve the I/O performance. However, little work has been done for effectively offloading lossy compression onto FPGA-based SmartNICs to reduce the compression overhead. In this paper, we propose a hardware-algorithm codesign for an efficient and adaptive lossy compressor for scientific data on FPGAs (called CEAZ), which is the first lossy compressor that can achieve high compression ratios and throughputs simultaneously. Specifically, we propose an efficient Huffman coding approach that can adaptively update Huffman codewords online based on codewords generated offline, from a variety of representative scientific datasets. Moreover, we derive a theoretical analysis to support a precise control of compression ratio under an error-bounded compression mode, enabling accurate offline Huffman codewords generation. This also helps us create a fixed-ratio compression mode for consistent throughput. In addition, we develop an efficient compression pipeline by adopting cuSZ's dual-quantization algorithm to our hardware use cases. Finally, we evaluate CEAZ on five real-world datasets with both a single FPGA board and 128 nodes (to accelerate parallel I/O). Experiments show that CEAZ outperforms the second-best FPGA-based lossy compressor by 2.3X of throughput and 3.0X of ratio. It also improves MPI_File_write and MPI_Gather throughputs by up to 28.9X and 37.8X, respectively., Comment: 13 pages, 15 figures, 8 tables, accepted by ACM ICS '22

Recent research demonstrated the promise of using resistive random access memory (ReRAM) as an emerging technology to perform inherently parallel analog domain in-situ matrix-vector multiplication -- the intensive and key computation in deep neural networks (DNNs). However, hardware failure, such as stuck-at-fault defects, is one of the main concerns that impedes the ReRAM devices to be a feasible solution for real implementations. The existing solutions to address this issue usually require an optimization to be conducted for each individual device, which is impractical for mass-produced products (e.g., IoT devices). In this paper, we rethink the value of weight pruning in ReRAM-based DNN design from the perspective of model fault tolerance. And a differential mapping scheme is proposed to improve the fault tolerance under a high stuck-on fault rate. Our method can tolerate almost an order of magnitude higher failure rate than the traditional two-column method in representative DNN tasks. More importantly, our method does not require extra hardware cost compared to the traditional two-column mapping scheme. The improvement is universal and does not require the optimization process for each individual device., Comment: In Proceedings of the 22nd International Symposium on Quality Electronic Design (ISQED), 2021

Convolutional neural networks (CNNs) are becoming increasingly deeper, wider, and non-linear because of the growing demand on prediction accuracy and analysis quality. The wide and deep CNNs, however, require a large amount of computing resources and processing time. Many previous works have studied model pruning to improve inference performance, but little work has been done for effectively reducing training cost. In this paper, we propose ClickTrain: an efficient and accurate end-to-end training and pruning framework for CNNs. Different from the existing pruning-during-training work, ClickTrain provides higher model accuracy and compression ratio via fine-grained architecture-preserving pruning. By leveraging pattern-based pruning with our proposed novel accurate weight importance estimation, dynamic pattern generation and selection, and compiler-assisted computation optimizations, ClickTrain generates highly accurate and fast pruned CNN models for direct deployment without any extra time overhead, compared with the baseline training. ClickTrain also reduces the end-to-end time cost of the pruning-after-training method by up to 2.3X with comparable accuracy and compression ratio. Moreover, compared with the state-of-the-art pruning-during-training approach, ClickTrain provides significant improvements both accuracy and compression ratio on the tested CNN models and datasets, under similar limited training time., Comment: 12 pages, 15 figures, 2 tables, published by ICS'21

Recurrent neural networks (RNNs) based automatic speech recognition has nowadays become prevalent on mobile devices such as smart phones. However, previous RNN compression techniques either suffer from hardware performance overhead due to irregularity or significant accuracy loss due to the preserved regularity for hardware friendliness. In this work, we propose RTMobile that leverages both a novel block-based pruning approach and compiler optimizations to accelerate RNN inference on mobile devices. Our proposed RTMobile is the first work that can achieve real-time RNN inference on mobile platforms. Experimental results demonstrate that RTMobile can significantly outperform existing RNN hardware acceleration methods in terms of inference accuracy and time. Compared with prior work on FPGA, RTMobile using Adreno 640 embedded GPU on GRU can improve the energy-efficiency by about 40$\times$ while maintaining the same inference time.