arXiv subjects

Prabhat

Publications and source records attributed to Prabhat.

At least 37 records · Page 2Linked to original sources

arXiv2018

Optimizing the Union of Intersections LASSO ($UoI_{LASSO}$) and Vector Autoregressive ($UoI_{VAR}$) Algorithms for Improved Statistical Estimation at Scale

The analysis of scientific data of increasing size and complexity requires statistical machine learning methods that are both interpretable and predictive. Union of Intersections (UoI), a recently developed framework, is a two-step approach that separates model selection and model estimation. A linear regression algorithm based on UoI, $UoI_{LASSO}$, simultaneously achieves low false positives and low false negative feature selection as well as low bias and low variance estimates. Together, these qualities make the results both predictive and interpretable. In this paper, we optimize the $UoI_{LASSO}$ algorithm for single-node execution on NERSC's Cori Knights Landing, a Xeon Phi based supercomputer. We then scale $UoI_{LASSO}$ to execute on cores ranging from 68-278,528 cores on a range of dataset sizes demonstrating the weak and strong scaling of the implementation. We also implement a variant of $UoI_{LASSO}$, $UoI_{VAR}$ for vector autoregressive models, to analyze high dimensional time-series data. We perform single node optimization and multi-node scaling experiments for $UoI_{VAR}$ to demonstrate the effectiveness of the algorithm for weak and strong scaling. Our implementations enable to use estimate the largest VAR model (1000 nodes) we are aware of, and apply it to large neurophysiology data 192 nodes).

cs.LG↗

arXiv2018

Alchemist: An Apache Spark <=> MPI Interface

The Apache Spark framework for distributed computation is popular in the data analytics community due to its ease of use, but its MapReduce-style programming model can incur significant overheads when performing computations that do not map directly onto this model. One way to mitigate these costs is to off-load computations onto MPI codes. In recent work, we introduced Alchemist, a system for the analysis of large-scale data sets. Alchemist calls MPI-based libraries from within Spark applications, and it has minimal coding, communication, and memory overheads. In particular, Alchemist allows users to retain the productivity benefits of working within the Spark software ecosystem without sacrificing performance efficiency in linear algebra, machine learning, and other related computations. In this paper, we discuss the motivation behind the development of Alchemist, and we provide a detailed overview its design and usage. We also demonstrate the efficiency of our approach on medium-to-large data sets, using some standard linear algebra operations, namely matrix multiplication and the truncated singular value decomposition of a dense matrix, and we compare the performance of Spark with that of Spark+Alchemist. These computations are run on the NERSC supercomputer Cori Phase 1, a Cray XC40.

cs.DC↗

arXiv2018

Accelerating Large-Scale Data Analysis by Offloading to High-Performance Computing Libraries using Alchemist

Apache Spark is a popular system aimed at the analysis of large data sets, but recent studies have shown that certain computations---in particular, many linear algebra computations that are the basis for solving common machine learning problems---are significantly slower in Spark than when done using libraries written in a high-performance computing framework such as the Message-Passing Interface (MPI). To remedy this, we introduce Alchemist, a system designed to call MPI-based libraries from Apache Spark. Using Alchemist with Spark helps accelerate linear algebra, machine learning, and related computations, while still retaining the benefits of working within the Spark environment. We discuss the motivation behind the development of Alchemist, and we provide a brief overview of its design and implementation. We also compare the performances of pure Spark implementations with those of Spark implementations that leverage MPI-based codes via Alchemist. To do so, we use data science case studies: a large-scale application of the conjugate gradient method to solve very large linear systems arising in a speech classification problem, where we see an improvement of an order of magnitude; and the truncated singular value decomposition (SVD) of a 400GB three-dimensional ocean temperature data set, where we see a speedup of up to 7.9x. We also illustrate that the truncated SVD computation is easily scalable to terabyte-sized data by applying it to data sets of sizes up to 17.6TB.

cs.DC↗

arXiv2018

Cataloging the Visible Universe through Bayesian Inference at Petascale

Astronomical catalogs derived from wide-field imaging surveys are an important tool for understanding the Universe. We construct an astronomical catalog from 55 TB of imaging data using Celeste, a Bayesian variational inference code written entirely in the high-productivity programming language Julia. Using over 1.3 million threads on 650,000 Intel Xeon Phi cores of the Cori Phase II supercomputer, Celeste achieves a peak rate of 1.54 DP PFLOP/s. Celeste is able to jointly optimize parameters for 188M stars and galaxies, loading and processing 178 TB across 8192 nodes in 14.6 minutes. To achieve this, Celeste exploits parallelism at multiple levels (cluster, node, and thread) and accelerates I/O through Cori's Burst Buffer. Julia's native performance enables Celeste to employ high-level constructs without resorting to hand-written or generated low-level code (C/C++/Fortran), and yet achieve petascale performance.

cs.DC↗

arXiv2017

Scaling GRPC Tensorflow on 512 nodes of Cori Supercomputer

We explore scaling of the standard distributed Tensorflow with GRPC primitives on up to 512 Intel Xeon Phi (KNL) nodes of Cori supercomputer with synchronous stochastic gradient descent (SGD), and identify causes of scaling inefficiency at higher node counts. To our knowledge, this is the first exploration of distributed GRPC Tensorflow scalability on a HPC supercomputer at such large scale with synchronous SGD. We studied scaling of two convolution neural networks - ResNet-50, a state-of-the-art deep network for classification with roughly 25.5 million parameters, and HEP-CNN, a shallow topology with less than 1 million parameters for common scientific usages. For ResNet-50, we achieve >80% scaling efficiency on up to 128 workers, using 32 parameter servers (PS tasks) with a steep decline down to 23% for 512 workers using 64 PS tasks. Our analysis of the efficiency drop points to low network bandwidth utilization due to combined effect of three factors. (a) Heterogeneous distributed parallelization algorithm which uses PS tasks as centralized servers for gradient averaging is suboptimal for utilizing interconnect bandwidth. (b) Load imbalance among PS tasks hinders their efficient scaling. (c) Underlying communication primitive GRPC is currently inefficient on Cori high-speed interconnect. The HEP-CNN demands less interconnect bandwidth, and shows >80% weak scaling efficiency for up to 256 nodes with only 1 PS task. Our findings are applicable to other deep learning networks. Big networks with millions of parameters stumble upon the issues discussed here. Shallower networks like HEP-CNN with relatively lower number of parameters can efficiently enjoy weak scaling even with a single parameter server.

cs.DC↗

arXiv2017

Improvements to Inference Compilation for Probabilistic Programming in Large-Scale Scientific Simulators

We consider the problem of Bayesian inference in the family of probabilistic models implicitly defined by stochastic generative models of data. In scientific fields ranging from population biology to cosmology, low-level mechanistic components are composed to create complex generative models. These models lead to intractable likelihoods and are typically non-differentiable, which poses challenges for traditional approaches to inference. We extend previous work in "inference compilation", which combines universal probabilistic programming and deep learning methods, to large-scale scientific simulators, and introduce a C++ based probabilistic programming library called CPProb. We successfully use CPProb to interface with SHERPA, a large code-base used in particle physics. Here we describe the technical innovations realized and planned for this library.

cs.AI↗

arXiv2017

Deep Neural Networks for Physics Analysis on low-level whole-detector data at the LHC

There has been considerable recent activity applying deep convolutional neural nets (CNNs) to data from particle physics experiments. Current approaches on ATLAS/CMS have largely focussed on a subset of the calorimeter, and for identifying objects or particular particle types. We explore approaches that use the entire calorimeter, combined with track information, for directly conducting physics analyses: i.e. classifying events as known-physics background or new-physics signals. We use an existing RPV-Supersymmetry analysis as a case study and explore CNNs on multi-channel, high-resolution sparse images: applied on GPU and multi-node CPU architectures (including Knights Landing (KNL) Xeon Phi nodes) on the Cori supercomputer at NERSC.

hep-ex↗

arXiv2017

ExtremeWeather: A large-scale climate dataset for semi-supervised detection, localization, and understanding of extreme weather events

Then detection and identification of extreme weather events in large-scale climate simulations is an important problem for risk management, informing governmental policy decisions and advancing our basic understanding of the climate system. Recent work has shown that fully supervised convolutional neural networks (CNNs) can yield acceptable accuracy for classifying well-known types of extreme weather events when large amounts of labeled data are available. However, many different types of spatially localized climate patterns are of interest including hurricanes, extra-tropical cyclones, weather fronts, and blocking events among others. Existing labeled data for these patterns can be incomplete in various ways, such as covering only certain years or geographic areas and having false negatives. This type of climate data therefore poses a number of interesting machine learning challenges. We present a multichannel spatiotemporal CNN architecture for semi-supervised bounding box prediction and exploratory data analysis. We demonstrate that our approach is able to leverage temporal information and unlabeled data to improve the localization of extreme weather events. Further, we explore the representations learned by our model in order to better understand this important data. We present a dataset, ExtremeWeather, to encourage machine learning research in this area and to help facilitate further work in understanding and mitigating the effects of climate change. The dataset is available at extremeweatherdataset.github.io and the code is available at https://github.com/eracah/hur-detect.

cs.CV↗

arXiv2017

Union of Intersections (UoI) for Interpretable Data Driven Discovery and Prediction

The increasing size and complexity of scientific data could dramatically enhance discovery and prediction for basic scientific applications. Realizing this potential, however, requires novel statistical analysis methods that are both interpretable and predictive. We introduce Union of Intersections (UoI), a flexible, modular, and scalable framework for enhanced model selection and estimation. Methods based on UoI perform model selection and model estimation through intersection and union operations, respectively. We show that UoI-based methods achieve low-variance and nearly unbiased estimation of a small number of interpretable features, while maintaining high-quality prediction accuracy. We perform extensive numerical investigation to evaluate a UoI algorithm ($UoI_{Lasso}$) on synthetic and real data. In doing so, we demonstrate the extraction of interpretable functional networks from human electrophysiology recordings as well as accurate prediction of phenotypes from genotype-phenotype data with reduced features. We also show (with the $UoI_{L1Logistic}$ and $UoI_{CUR}$ variants of the basic framework) improved prediction parsimony for classification and matrix factorization on several benchmark biomedical data sets. These results suggest that methods based on the UoI framework could improve interpretation and prediction in data-driven discovery across scientific fields.

stat.ML↗

arXiv2017

A Physics-Based Approach to Unsupervised Discovery of Coherent Structures in Spatiotemporal Systems

Given that observational and numerical climate data are being produced at ever more prodigious rates, increasingly sophisticated and automated analysis techniques have become essential. Deep learning is quickly becoming a standard approach for such analyses and, while great progress is being made, major challenges remain. Unlike commercial applications in which deep learning has led to surprising successes, scientific data is highly complex and typically unlabeled. Moreover, interpretability and detecting new mechanisms are key to scientific discovery. To enhance discovery we present a complementary physics-based, data-driven approach that exploits the causal nature of spatiotemporal data sets generated by local dynamics (e.g. hydrodynamic flows). We illustrate how novel patterns and coherent structures can be discovered in cellular automata and outline the path from them to climate data.

physics.flu-dyn↗

arXiv2017

Galactos: Computing the Anisotropic 3-Point Correlation Function for 2 Billion Galaxies

The nature of dark energy and the complete theory of gravity are two central questions currently facing cosmology. A vital tool for addressing them is the 3-point correlation function (3PCF), which probes deviations from a spatially random distribution of galaxies. However, the 3PCF's formidable computational expense has prevented its application to astronomical surveys comprising millions to billions of galaxies. We present Galactos, a high-performance implementation of a novel, O(N^2) algorithm that uses a load-balanced k-d tree and spherical harmonic expansions to compute the anisotropic 3PCF. Our implementation is optimized for the Intel Xeon Phi architecture, exploiting SIMD parallelism, instruction and thread concurrency, and significant L1 and L2 cache reuse, reaching 39% of peak performance on a single node. Galactos scales to the full Cori system, achieving 9.8PF (peak) and 5.06PF (sustained) across 9636 nodes, making the 3PCF easily computable for all galaxies in the observable universe.

astro-ph.CO↗

arXiv2017

An Assessment of Data Transfer Performance for Large-Scale Climate Data Analysis and Recommendations for the Data Infrastructure for CMIP6

We document the data transfer workflow, data transfer performance, and other aspects of staging approximately 56 terabytes of climate model output data from the distributed Coupled Model Intercomparison Project (CMIP5) archive to the National Energy Research Supercomputing Center (NERSC) at the Lawrence Berkeley National Laboratory required for tracking and characterizing extratropical storms, a phenomena of importance in the mid-latitudes. We present this analysis to illustrate the current challenges in assembling multi-model data sets at major computing facilities for large-scale studies of CMIP5 data. Because of the larger archive size of the upcoming CMIP6 phase of model intercomparison, we expect such data transfers to become of increasing importance, and perhaps of routine necessity. We find that data transfer rates using the ESGF are often slower than what is typically available to US residences and that there is significant room for improvement in the data transfer capabilities of the ESGF portal and data centers both in terms of workflow mechanics and in data transfer performance. We believe performance improvements of at least an order of magnitude are within technical reach using current best practices, as illustrated by the performance we achieved in transferring the complete raw data set between two high performance computing facilities. To achieve these performance improvements, we recommend: that current best practices (such as the Science DMZ model) be applied to the data servers and networks at ESGF data centers; that sufficient financial and human resources be devoted at the ESGF data centers for systems and network engineering tasks to support high performance data movement; and that performance metrics for data transfer between ESGF data centers and major computing facilities used for climate data analysis be established, regularly tested, and published.

cs.DC↗

arXiv2017

Deep Learning at 15PF: Supervised and Semi-Supervised Classification for Scientific Data

This paper presents the first, 15-PetaFLOP Deep Learning system for solving scientific pattern classification problems on contemporary HPC architectures. We develop supervised convolutional architectures for discriminating signals in high-energy physics data as well as semi-supervised architectures for localizing and classifying extreme weather in climate data. Our Intelcaffe-based implementation obtains $\sim$2TFLOP/s on a single Cori Phase-II Xeon-Phi node. We use a hybrid strategy employing synchronous node-groups, while using asynchronous communication across groups. We use this strategy to scale training of a single model to $\sim$9600 Xeon-Phi nodes; obtaining peak performance of 11.73-15.07 PFLOP/s and sustained performance of 11.41-13.27 PFLOP/s. At scale, our HEP architecture produces state-of-the-art classification accuracy on a dataset with 10M images, exceeding that achieved by selections on high-level physics-motivated features. Our semi-supervised architecture successfully extracts weather patterns in a 15TB climate dataset. Our results demonstrate that Deep Learning can be optimized and scaled effectively on many-core, HPC systems.

cs.PF↗

arXiv2017

ArrayBridge: Interweaving declarative array processing with high-performance computing

Scientists are increasingly turning to datacenter-scale computers to produce and analyze massive arrays. Despite decades of database research that extols the virtues of declarative query processing, scientists still write, debug and parallelize imperative HPC kernels even for the most mundane queries. This impedance mismatch has been partly attributed to the cumbersome data loading process; in response, the database community has proposed in situ mechanisms to access data in scientific file formats. Scientists, however, desire more than a passive access method that reads arrays from files. This paper describes ArrayBridge, a bi-directional array view mechanism for scientific file formats, that aims to make declarative array manipulations interoperable with imperative file-centric analyses. Our prototype implementation of ArrayBridge uses HDF5 as the underlying array storage library and seamlessly integrates into the SciDB open-source array database system. In addition to fast querying over external array objects, ArrayBridge produces arrays in the HDF5 file format just as easily as it can read from it. ArrayBridge also supports time travel queries from imperative kernels through the unmodified HDF5 API, and automatically deduplicates between array versions for space efficiency. Our extensive performance evaluation in NERSC, a large-scale scientific computing facility, shows that ArrayBridge exhibits statistically indistinguishable performance and I/O scalability to the native SciDB storage engine.

cs.DB↗

arXiv2016

Revealing Fundamental Physics from the Daya Bay Neutrino Experiment using Deep Neural Networks

Experiments in particle physics produce enormous quantities of data that must be analyzed and interpreted by teams of physicists. This analysis is often exploratory, where scientists are unable to enumerate the possible types of signal prior to performing the experiment. Thus, tools for summarizing, clustering, visualizing and classifying high-dimensional data are essential. In this work, we show that meaningful physical content can be revealed by transforming the raw data into a learned high-level representation using deep neural networks, with measurements taken at the Daya Bay Neutrino Experiment as a case study. We further show how convolutional deep neural networks can provide an effective classification filter with greater than 97% accuracy across different classes of physics events, significantly better than other machine learning approaches.

stat.ML↗

arXiv2016

Learning an Astronomical Catalog of the Visible Universe through Scalable Bayesian Inference

Celeste is a procedure for inferring astronomical catalogs that attains state-of-the-art scientific results. To date, Celeste has been scaled to at most hundreds of megabytes of astronomical images: Bayesian posterior inference is notoriously demanding computationally. In this paper, we report on a scalable, parallel version of Celeste, suitable for learning catalogs from modern large-scale astronomical datasets. Our algorithmic innovations include a fast numerical optimization routine for Bayesian posterior inference and a statistically efficient scheme for decomposing astronomical optimization problems into subproblems. Our scalable implementation is written entirely in Julia, a new high-level dynamic programming language designed for scientific and numerical computing. We use Julia's high-level constructs for shared and distributed memory parallelism, and demonstrate effective load balancing and efficient scaling on up to 8192 Xeon cores on the NERSC Cori supercomputer.

cs.DC↗

arXiv2016

Matrix Factorization at Scale: a Comparison of Scientific Data Analytics in Spark and C+MPI Using Three Case Studies

We explore the trade-offs of performing linear algebra using Apache Spark, compared to traditional C and MPI implementations on HPC platforms. Spark is designed for data analytics on cluster computing platforms with access to local disks and is optimized for data-parallel tasks. We examine three widely-used and important matrix factorizations: NMF (for physical plausability), PCA (for its ubiquity) and CX (for data interpretability). We apply these methods to TB-sized problems in particle physics, climate modeling and bioimaging. The data matrices are tall-and-skinny which enable the algorithms to map conveniently into Spark's data-parallel model. We perform scaling experiments on up to 1600 Cray XC40 nodes, describe the sources of slowdowns, and provide tuning guidance to obtain high performance.

cs.DC↗

arXiv2016

PANDA: Extreme Scale Parallel K-Nearest Neighbor on Distributed Architectures

Computing $k$-Nearest Neighbors (KNN) is one of the core kernels used in many machine learning, data mining and scientific computing applications. Although kd-tree based $O(\log n)$ algorithms have been proposed for computing KNN, due to its inherent sequentiality, linear algorithms are being used in practice. This limits the applicability of such methods to millions of data points, with limited scalability for Big Data analytics challenges in the scientific domain. In this paper, we present parallel and highly optimized kd-tree based KNN algorithms (both construction and querying) suitable for distributed architectures. Our algorithm includes novel approaches for pruning search space and improving load balancing and partitioning among nodes and threads. Using TB-sized datasets from three science applications: astrophysics, plasma physics, and particle physics, we show that our implementation can construct kd-tree of 189 billion particles in 48 seconds on utilizing $\sim$50,000 cores. We also demonstrate computation of KNN of 19 billion queries in 12 seconds. We demonstrate almost linear speedup both for shared and distributed memory computers. Our algorithms outperforms earlier implementations by more than order of magnitude; thereby radically improving the applicability of our implementation to state-of-the-art Big Data analytics problems. In addition, we showcase performance and scalability on the recently released Intel Xeon Phi processor showing that our algorithm scales well even on massively parallel architectures.

cs.DC↗