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Yifei He, Artur Podobas, Måns I. Andersson, Stefano Markidis

Discrete Fourier Transform (DFT) libraries are one of the most critical software components for scientific computing. Inspired by FFTW, a widely used library for DFT HPC calculations, we apply compiler technologies for the development of HPC Fourier transform libraries. In this work, we introduce FFTc, a domain-specific language, based on Multi-Level Intermediate Representation (MLIR), for expressing Fourier Transform algorithms. We present the initial design, implementation, and preliminary results of FFTc.

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Ayesha Afzal, Georg Hager, Gerhard Wellein, Stefano Markidis

This paper studies the utility of using data analytics and machine learning techniques for identifying, classifying, and characterizing the dynamics of large-scale parallel (MPI) programs. To this end, we run microbenchmarks and realistic proxy applications with the regular compute-communicate structure on two different supercomputing platforms and choose the per-process performance and MPI time per time step as relevant observables. Using principal component analysis, clustering techniques, correlation functions, and a new "phase space plot," we show how desynchronization patterns (or lack thereof) can be readily identified from a data set that is much smaller than a full MPI trace. Our methods also lead the way towards a more general classification of parallel program dynamics.

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Martin Svedin, Artur Podobas, Steven W. D. Chien, Stefano Markidis

One of the most promising approaches for data analysis and exploration of large data sets is Machine Learning techniques that are inspired by brain models. Such methods use alternative learning rules potentially more efficiently than established learning rules. In this work, we focus on the potential of brain-inspired ML for exploiting High-Performance Computing (HPC) resources to solve ML problems: we discuss the BCPNN and an HPC implementation, called StreamBrain, its computational cost, suitability to HPC systems. As an example, we use StreamBrain to analyze the Higgs Boson dataset from High Energy Physics and discriminate between background and signal classes in collisions of high-energy particle colliders. Overall, we reach up to 69.15% accuracy and 76.4% Area Under the Curve (AUC) performance.

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Xavier Aguilar, Stefano Markidis

We design and develop a new Particle-in-Cell (PIC) method for plasma simulations using Deep-Learning (DL) to calculate the electric field from the electron phase space. We train a Multilayer Perceptron (MLP) and a Convolutional Neural Network (CNN) to solve the two-stream instability test. We verify that the DL-based MLP PIC method produces the correct results using the two-stream instability: the DL-based PIC provides the expected growth rate of the two-stream instability. The DL-based PIC does not conserve the total energy and momentum. However, the DL-based PIC method is stable against the cold-beam instability, affecting traditional PIC methods. This work shows that integrating DL technologies into traditional computational methods is a viable approach for developing next-generation PIC algorithms.

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Artur Podobas, Martin Svedin, Steven W. D. Chien, Ivy B. Peng, Naresh Balaji Ravichandran, Pawel Herman, Anders Lansner, Stefano Markidis

The modern deep learning method based on backpropagation has surged in popularity and has been used in multiple domains and application areas. At the same time, there are other -- less-known -- machine learning algorithms with a mature and solid theoretical foundation whose performance remains unexplored. One such example is the brain-like Bayesian Confidence Propagation Neural Network (BCPNN). In this paper, we introduce StreamBrain -- a framework that allows neural networks based on BCPNN to be practically deployed in High-Performance Computing systems. StreamBrain is a domain-specific language (DSL), similar in concept to existing machine learning (ML) frameworks, and supports backends for CPUs, GPUs, and even FPGAs. We empirically demonstrate that StreamBrain can train the well-known ML benchmark dataset MNIST within seconds, and we are the first to demonstrate BCPNN on STL-10 size networks. We also show how StreamBrain can be used to train with custom floating-point formats and illustrate the impact of using different bfloat variations on BCPNN using FPGAs.

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Stefano Markidis, Ivy Peng, Artur Podobas, Itthinat Jongsuebchoke, Gabriel Bengtsson, Pawel Herman

Numerical simulations of plasma flows are crucial for advancing our understanding of microscopic processes that drive the global plasma dynamics in fusion devices, space, and astrophysical systems. Identifying and classifying particle trajectories allows us to determine specific on-going acceleration mechanisms, shedding light on essential plasma processes. Our overall goal is to provide a general workflow for exploring particle trajectory space and automatically classifying particle trajectories from plasma simulations in an unsupervised manner. We combine pre-processing techniques, such as Fast Fourier Transform (FFT), with Machine Learning methods, such as Principal Component Analysis (PCA), k-means clustering algorithms, and silhouette analysis. We demonstrate our workflow by classifying electron trajectories during magnetic reconnection problem. Our method successfully recovers existing results from previous literature without a priori knowledge of the underlying system. Our workflow can be applied to analyzing particle trajectories in different phenomena, from magnetic reconnection, shocks to magnetospheric flows. The workflow has no dependence on any physics model and can identify particle trajectories and acceleration mechanisms that were not detected before.

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Vyacheslav Olshevsky, Yuri V. Khotyaintsev, Andrey Divin, Gian Luca Delzanno, Sven Anderzen, Pawel Herman, Steven W. D. Chien, Levon Avanov, Stefano Markidis

Even though automatic classification and interpretation would be highly desired features for the Magnetospheric Multiscale mission (MMS), the gold rush era in machine learning has yet to reach the science done with observations collected by MMS. We investigate the properties of the ion sky maps produced by the Dual Ion Spectrometers (DIS) from the Fast Plasma Investigation (FPI). Running the Principal Component Analysis (PCA) on a mixed subset of the data suggests that more than 500 components are needed to cover 80% of the variance. Hence, simple machine learning techniques might not deal with classification of plasma regions. Use of a three-dimensional (3D) convolutional autoencoder (3D-CAE) allows to reduce the data dimensionality by 128 times while still maintaining a decent quality energy distribution. However, k-means clustering computed over the compressed data is not capable of separating measurements according to the physical properties of the plasma. A three-dimensional convolutional neural network (3D-CNN), trained on a rather small amount of human labelled training examples is able to predict plasma regions with 99% accuracy. The low probability predictions of the 3D-CNN reveal the mixed state regions, such as the magnetopause or bow shock, which are of key interest to researchers of the MMS mission. The 3D-CNN and data processing software could easily be deployed on ground-based computers and provide classification for the whole MMS database. Data processing through the trained 3D-CNN is fast and efficient, opening up the possibility for deployment in data-centers or in situ operation onboard the spacecraft.

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