Interactive massively parallel computations are critical for machine learning and data analysis. These computations are a staple of the MIT Lincoln Laboratory Supercomputing Center (LLSC) and has required the LLSC to develop unique interactive supercomputing capabilities. Scaling interactive machine learning frameworks, such as TensorFlow, and data analysis environments, such as MATLAB/Octave, to tens of thousands of cores presents many technical challenges -in particular, rapidly dispatching many tasks through a scheduler, such as Slurm, and starting many instances of applications with thousands of dependencies. Careful tuning of launches and prepositioning of applications overcome these challenges and allow the launching of thousands of tasks in seconds on a 40,000-core supercomputer. Specifically, this work demonstrates launching 32,000 TensorFlow processes in 4 seconds and launching 262,000 Octave processes in 40 seconds. These capabilities allow researchers to rapidly explore novel machine learning architecture and data analysis algorithms.
Advances in multicore processors and accelerators have opened the flood gates to greater exploration and application of machine learning techniques to a variety of applications. These advances, along with breakdowns of several trends including Moore's Law, have prompted an explosion of processors and accelerators that promise even greater computational and machine learning capabilities. These processors and accelerators are coming in many forms, from CPUs and GPUs to ASICs, FPGAs, and dataflow accelerators.This paper surveys the current state of these processors and accelerators that have been publicly announced with performance and power consumption numbers. The performance and power values are plotted on a scatter graph and a number of dimensions and observations from the trends on this plot are discussed and analyzed. For instance, there are interesting trends in the plot regarding power consumption, numerical precision, and inference versus training. We then select and benchmark two commerciallyavailable low size, weight, and power (SWaP) accelerators as these processors are the most interesting for embedded and mobile machine learning inference applications that are most applicable to the DoD and other SWaP constrained users. We determine how they actually perform with real-world images and neural network models, compare those results to the reported performance and power consumption values and evaluate them against an Intel CPU that is used in some embedded applications.On the left side of Figure 1, structured and unstructured data sources provide different views of entities and/or phenomenology. These raw data products are fed into a data conditioning step in which they are fused, aggregated, structured, accumulated, and converted to information. The information generated by the data conditioning step feeds into a host of supervised and unsupervised algorithms such as neural networks, which extract patterns, predict new events, fill in missing data, or look for similarities across datasets, thereby converting the input information to actionable knowledge. This actionable knowledge is then passed to human beings for decision-making processes in the human-machine teaming phase. The phase of human-machine teaming provides the users with useful and relevant insight turning knowledge into actionable intelligence or insight.Underlying all of these phases is a bedrock of modern computing systems that is comprised of one or more heterogenous computing elements. For example, sensor processing may occur on low power embedded computers, while algorithms may be computed in very large data centers. With regard to performance advances in these computing elements, Moore's law trends have ended [1], as have a number of related laws and trends including Denard's scaling (power density), clock frequency, core counts, instructions per clock cycle, and instructions per Joule (Koomey's law) [2]. Many of the technologies, tricks and techniques of processor chip designers that
Abstract-An important objective for analyzing realworld graphs is to achieve scalable performance on large, streaming graphs. A challenging and relevant example is the graph partition problem. As a combinatorial problem, graph partition is NP-hard, but existing relaxation methods provide reasonable approximate solutions that can be scaled for large graphs. Competitive benchmarks and challenges have proven to be an effective means to advance state-of-the-art performance and foster community collaboration. This paper describes a graph partition challenge with a baseline partition algorithm of sub-quadratic complexity. The algorithm employs rigorous Bayesian inferential methods based on a statistical model that captures characteristics of the real-world graphs. This strong foundation enables the algorithm to address limitations of well-known graph partition approaches such as modularity maximization. This paper describes various aspects of the challenge including: (1) the data sets and streaming graph generator, (2) the baseline partition algorithm with pseudocode, (3) an argument for the correctness of parallelizing the Bayesian inference, (4) different parallel computation strategies such as node-based parallelism and matrix-based parallelism, (5) evaluation metrics for partition correctness and computational requirements, (6) preliminary timing of a Python-based demonstration code and the open source C++ code, and (7) considerations for partitioning the graph in streaming fashion. Data sets and source code for the algorithm as well as metrics, with detailed documentation are available at GraphChallenge.org.
Massive scale, both in terms of data availability and computation, enables significant breakthroughs in key application areas of deep learning such as natural language processing (NLP) and computer vision. There is emerging evidence that scale may be a key ingredient in scientific deep learning, but the importance of physical priors in scientific domains makes the strategies and benefits of scaling uncertain. Here, we investigate neural scaling behavior in large chemical models by varying model and dataset sizes over many orders of magnitude, studying models with over one billion parameters, pre-trained on datasets of up to ten million datapoints. We consider large language models for generative chemistry and graph neural networks for machine-learned interatomic potentials. To enable large-scale scientific deep learning studies under resource constraints, we develop the Training Performance Estimation (TPE) framework to reduce the costs of scalable hyperparameter optimization by up to 90%. Using this framework, we discover empirical neural scaling relations for deep chemical models and investigate the interplay between physical priors and scale. Potential applications of large, pre-trained models for "prompt engineering" and unsupervised representation learning of molecules are shown.
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