Data compression is becoming critical for storing scientific data because many scientific applications need to store large amounts of data and post process this data for scientific discovery. Unlike image and video compression algorithms that limit errors to primary data (PD), scientists require compression techniques that accurately preserve derived quantities of interest (QoIs). This paper presents a physics-informed compression technique implemented as an end-to-end, scalable, GPU-based pipeline for data compression that addresses this requirement. Our hybrid compression technique combines machine learning techniques and standard compression methods. Specifically, we combine an autoencoder, an error-bounded lossy compressor to provide guarantees on raw data error, and a constraint satisfaction post-processing step to preserve the QoIs within a minimal error (generally less than floating point error). The effectiveness of the data compression pipeline is demonstrated by compressing nuclear fusion simulation data generated by a large-scale fusion code, XGC, which produces hundreds of terabytes of data in a single day. Our approach works within the ADIOS framework and results in compression by a factor of more than 150 while requiring only a few percent of the computational resources necessary for generating the data, making the overall approach highly effective for practical scenarios.

Scientific applications in fields such as high energy physics, computational fluid dynamics, and climate science generate vast amounts of data at high velocities. This exponential growth in data production is surpassing the advancements in computing power, network capabilities, and storage capacities. To address this challenge, data compression or reduction techniques are crucial. These scientific datasets have underlying data structures that consist of structured and block structured multidimensional meshes where each grid point corresponds to a tensor. It is important that data reduction techniques leverage strong spatial and temporal correlations that are ubiquitous in these applications. Additionally, applications such as CFD, process tensors comprising hundred plus species and their attributes at each grid point. Reduction techniques should be able to leverage interrelationships between the elements in each tensor.In this paper, we propose an attention-based hierarchical compression method utilizing a block-wise compression setup. We introduce an attention-based hyper-block autoencoder to capture inter-block correlations, followed by a block-wise encoder to capture block-specific information. A PCA-based post-processing step is employed to guarantee error bounds for each data block. Our method effectively captures both spatiotemporal and inter-variable correlations within and between data blocks. Compared to the state-of-the-art SZ3, our method achieves up to 8× higher compression ratio on the multi-variable S3D dataset. When evaluated on single-variable setups using the E3SM and XGC datasets, our method still achieves up to 3× and 2× higher compression ratio, respectively.

Scientists conduct large-scale simulations to compute derived quantities from primary data. Thus, it is crucial that data compression techniques maintain bounded errors on these derived quantities or quantities of interest (QoI). Despite the notable performance of recent learned image/video compression approaches using neural networks, they do not guarantee reconstruction errors and cannot manage QoI. This work introduces the Guaranteed Autoencoder with Preserved QoI (GAEQ), which utilizes the interpretation that neural networks with piecewise linear units (PLUs) can be interpreted as a set of linear operators [1] . Although the operators are instance-specific, many instances share the same operator if they fall into the same region of the tessellation formed by PLUs.

Scientists conduct large-scale simulations to compute derived quantities from primary data. Thus, it is crucial that data compression techniques maintain bounded errors on these derived quantities or quantities of interest (QOI). For many spatiotemporal applications, these QOIs are binary in nature and represent presence or absence of a physical phenomenon. In this work, we propose to use a hybrid approah for differential compression for such applications. We use a neural network (NN) approach to determine regions-of-interest (ROIs) where the binary QOIs are going to be prevalent. This is then used with traditional approaches that compress at a lower level (and higher accuracy) for these ROIs as compared to other regions.

In scientific data compression, it is crucial to preserve Quantities of Interest (QoI) derived from the data for accurate post-analysis of scientific applications. In this work, we present Constrained Autoencoders (CAEs) where we impose linear QoI as constraints on neural network activations. We circumvent the difficulty of using standard convex optimization methods on the output predictor in the context of autoencoder-driven compression.

Data compression is becoming critical for data-intensive scientific applications. Scientists require compression techniques that accurately preserve derived quantities of interest (QoIs). Prior work has shown that a pipeline can be built to guarantee error on the primary data (PD) within user-defined bounds and achieve near-floating point QoI errors. In this paper, we present novel computational approaches for accelerating the pipeline and demonstrate results that enable concurrent execution of compression in parallel with the simulation nodes. This allows compression, including the writing of the required compression data, for the previous time step to be completed while the simulation proceeds with the current time step. Overall, the approach presented in this paper results in a 6–8 times improvement in computational overhead compared to previous work. These results were obtained using data generated by a large-scale fusion code called XGC, which produces hundreds of terabytes of data in a single day.

Many scientific simulations and experiments generate terabytes to petabytes of data daily, necessitating data compression techniques. Unlike video and image compression, scientists require methods that accurately preserve primary data (PD) and derived quantities of interest (QoIs). In our previous work, we demonstrated the effectiveness of hybrid compression techniques that combine machine learning with traditional approaches. This paper presents innovative computational techniques aimed at expediting the compression pipeline. Our experiments, conducted on two distinct platforms with a large-scale XGC-based fusion simulation, demonstrate that the overhead incurred by these new approaches is less than one percent of the computational resources needed for the simulation.

Efficient data compression is becoming increasingly critical for storing scientific data because many scientific applications produce vast amounts of data. This paper presents an end-to-end algorithmic and software pipeline for data compression that guarantees both error bounds on primary data (PD) and derived data, known as Quantities of Interest (QoI).We demonstrate the effectiveness of the pipeline by compressing fusion data generated by a large-scale fusion code, XGC, which produces tens of petabytes of data in a single day. We demonstrate that the compression is conducted by setting aside computational resources known as staging nodes, and does not impact the simulation performance. For efficient parallel I/O, the pipeline uses ADIOS2, which many codes such as XGC already use for their parallel I/O. We show that our approach can compress the data by two orders of magnitude while guaranteeing high accuracy on both the PD and the QoIs. Further, the amount of resources required by compression is a few percent of the resources required by simulation while ensuring that the compression time for each stage is less than the corresponding simulation time.This pipeline consists of three main steps. The first step decomposes the data using domain decomposition into small subdomains. Each subdomain is then compressed independently to achieve a high level of parallelism. The second step uses existing techniques that guarantee error bounds on the primary data for each subdomain. The third step uses a post-processing optimization technique based on Lagrange multipliers to reduce the QoI errors for data corresponding to each subdomain. The Lagrange multipliers generated can be further quantized or truncated to increase the compression level. All of the above characteristics of our approach make it highly practical to apply on-the-fly compression while guaranteeing errors on QoIs that are critical to the scientists.