Knowledge Graph Embedding using Large Language Models for COVID-19
CoVID-19 (cord19) open data source for training knowledge graph with LLM
Cord19↗
Engineering topics
Kannan, Ramakrishnan
Publications and source records attributed to Kannan, Ramakrishnan.
Sparse Symmetric Format for Tucker Decomposition
Tensor-based methods are receiving renewed attention in recent years due to their prevalence in diverse real-world applications. There is considerable literature on tensor representations and algorithms for tensor decompositions, both for dense and sparse tensors. Many applications in hypergraph analytics, machine learning, psychometry, and signal processing result in tensors that are both sparse and symmetric, making them an important class for further study. Similar to the critical Tensor Times Matrix chain operation (TTM c ) in general sparse tensors, the $\underline{S}$ parse $\underline{S}$ ymmetric $\underline{T}$ ensor $\underline{T}$ imes $\underline{S}$ ame $\underline{M}$ atrix $\underline{c}$ hain (S 3 TTM c ) operation is compute and memory intensive due to high tensor order and the associated factorial explosion in the number of non-zeros. We present the novel Compressed Sparse Symmetric (CSS) format for sparse symmetric tensors, along with an efficient parallel algorithm for the S 3 TTM c operation. We theoretically establish that S 3 TTM c on CSS achieves a better memory versus run-time trade-off compared to state-of-the-art implementations, and visualize the variation of the performance gap over the parameter space. We demonstrate experimental findings that confirm these results and achieve up to 2.72× speedup on synthetic and real datasets. The scaling of the algorithm on different test architectures is also showcased to highlight the effect of machine characteristics on algorithm performance.
42 ENGINEERING↗
Structure Prediction from Neutron Scattering Profiles: A Data Sciences Approach
Explore the source record for details and available documents.
Computer Science↗
Co-design Center for Exascale Machine Learning Technologies (ExaLearn)
We report rapid growth in data, computational methods, and computing power is driving a remarkable revolution in what variously is termed machine learning (ML), statistical learning, computational learning, and artificial intelligence. In addition to highly visible successes in machine-based natural language translation, playing the game Go, and self-driving cars, these new technologies also have profound implications for computational and experimental science and engineering, as well as for the exascale computing systems that the Department of Energy (DOE) is developing to support those disciplines. Not only do these learning technologies open up exciting opportunities for scientific discovery on exascale systems, they also appear poised to have important implications for the design and use of exascale computers themselves, including high-performance computing (HPC) for ML and ML for HPC. The overarching goal of the ExaLearn co-design project is to provide exascale ML software for use by Exascale Computing Project (ECP) applications, other ECP co-design centers, and DOE experimental facilities and leadership class computing facilities.
97 MATHEMATICS AND COMPUTING↗
PLANC: Parallel Low-rank Approximation with Nonnegativity Constraints
In this work, we consider the problem of low-rank approximation of massive dense nonnegative tensor data, for example, to discover latent patterns in video and imaging applications. As the size of data sets grows, single workstations are hitting bottlenecks in both computation time and available memory. We propose a distributed-memory parallel computing solution to handle massive data sets, loading the input data across the memories of multiple nodes, and performing efficient and scalable parallel algorithms to compute the low-rank approximation. We present a software package called Parallel Low-rank Approximation with Nonnegativity Constraints, which implements our solution and allows for extension in terms of data (dense or sparse, matrices or tensors of any order), algorithm (e.g., from multiplicative updating techniques to alternating direction method of multipliers), and architecture (we exploit GPUs to accelerate the computation in this work). We describe our parallel distributions and algorithms, which are careful to avoid unnecessary communication and computation, show how to extend the software to include new algorithms and/or constraints, and report efficiency and scalability results for both synthetic and real-world data sets.
97 MATHEMATICS AND COMPUTING↗
COVID-19 Knowledge Graph -- Dataset for SMCDC 2021 Challenge 2
This repository contains the data for the 2021 Smoky Mountains Computational Sciences Data Challenge (SMCDC21) Challenge 2 -- Finding Novel Links in COVID-19 Knowledge Graph. The total size of all files in this repository is 285MB. Challenge website: https://smc-datachallenge.ornl.gov/2021-challenge-2/ More information about the challenge and the data: https://github.com/ORNL/smcdc-2021-covid-kg
60 APPLIED LIFE SCIENCES↗
ORCA: Outlier detection and Robust Clustering for Attributed graphs
Here, a framework is proposed to simultaneously cluster objects and detect anomalies in attributed graph data. Our objective function along with the carefully constructed constraints promotes interpretability of both the clustering and anomaly detection components, as well as scalability of our method. In addition, we developed an algorithm called Outlier detection and Robust Clustering for Attributed graphs (ORCA) within this framework. ORCA is fast and convergent under mild conditions, produces high quality clustering results, and discovers anomalies that can be mapped back naturally to the features of the input data. The efficacy and efficiency of ORCA is demonstrated on real world datasets against multiple state-of-the-art techniques.
97 MATHEMATICS AND COMPUTING↗
Scalable Knowledge-Graph Analytics at 136 Petaflop/s
This dataset contains data that was presented and analyzed in our paper Scalable Knowledge-Graph Analytics at 136 Petaflop/s.
Herrmannova, Drahomira↗
Tensor factorization for elucidating mechanisms of piezoresponse relaxation via dynamic Piezoresponse Force Spectroscopy
Spatially resolved time and voltage-dependent polarization dynamics in PbTiO 3 thin films is explored using dynamic piezoresponse force microscopy (D-PFM) in conjunction with interferometric displacement sensing. This approach gives rise to 4D data sets containing information on bias-dependent relaxation dynamics at each spatial location without long-range electrostatic artifacts. To interpret these data sets in the absence of defined physical models, we employ a non-negative tensor factorization method which clearly presents the data as a product of simple behaviors allowing for direct physics interpretation. Correspondingly, we perform phase-field modeling finding the existence of ‘hard’ and ‘soft’ domain wall edges. This approach can be extended to other multidimensional spectroscopies for which even exploratory data analysis leads to unsatisfactory results due to many components in the decomposition.
36 MATERIALS SCIENCE↗
Distributed Bayesian optimization of deep reinforcement learning algorithms
Not Available
97 MATHEMATICS AND COMPUTING↗
Machine Learning for Challenging EELS and EDS Spectral Decomposition
Scanning transmission electron microscopy (STEM) is one of the primary methods of characterizing heterogenous catalysts due to its unprecedented spatial resolution and the ability to perform imaging and chemical analysis simultaneously at the atomic scale. Here the characterization of heterogenous catalysts that are composed of metal and oxide support, the atomic configurations are often probed by Z-contrast imaging while the chemical distributions can be revealed by using either electron energy loss spectroscopy (EELS) or energy dispersive X-ray spectroscopy (EDS).
47 OTHER INSTRUMENTATION↗
HyperSpace
Machine learning (ML) models often contain numerous hyperparameters, free parameters that must be set before the models can be trained. As the number of model hyperparameters increases, their optimization becomes significantly more challenging as we face a combinatorial increase in potential model configurations. Similarly, there is an increased chance that our models’ hyperparameters interact in complex ways. HyperSpace allows a user to optimize complex machine learning algorithms based on their hyperparameters. HyperSpace works by parallelizing parameter search spaces, running Bayesian model based optimization (SMBO) over each of these spaces in parallel. It was designed to be as minimally invasive as possible such that very little change to existing code will be needed to get a user started.
Ramanathan, Arvind↗
HyperSpace: Distributed Bayesian Hyperparameter Optimization
As machine learning models continue to increase in complexity, so does the potential number of free model parameters commonly known as hyperparameters. While there has been considerable progress toward finding optimal configurations of these hyperparameters, many optimization procedures are treated as black boxes. We believe optimization methods should not only return a set of optimized hyperparameters, but also give insight into the effects of model hyperparameter settings. To this end, we present HyperSpace, a parallel implementation of Bayesian sequential model-based optimization. HyperSpace leverages high performance computing (HPC) resources to better understand unknown, potentially non-convex hyperparameter search spaces. We show that it is possible to learn the dependencies between model hyperparameters through the optimization process. By partitioning large search spaces and running many optimization procedures in parallel, we also show that it is possible to discover families of good hyperparameter settings over a variety of models including unsupervised clustering, regression, and classification tasks.
Computer Science↗
A Heterogeneity-Aware Task Scheduler for Spark
Big data processing systems such as Spark are employed in an increasing number of diverse applications-such as machine learning, graph computation, and scientific computing-each with dynamic and different resource needs. These applications increasingly run on heterogeneous hardware, e.g., with out-of-core accelerators. However, big data platforms do not factor in the multi-dimensional heterogeneity of applications and hardware. This leads to a fundamental mismatch between the application and hardware characteristics, and the resource scheduling adopted in big data platforms. For example, Hadoop and Spark consider only data locality when assigning tasks to nodes, and typically disregard the hardware capabilities and suitability to specific application requirements. In this paper, we present RUPAM, a heterogeneity-aware task scheduling system for big data platforms, which considers both task-level resource characteristics and underlying hardware characteristics, as well as preserves data locality. RUPAM adopts a simple yet effective heuristic to decide the dominant scheduling factor (e.g., CPU, memory, or I/O), given a task in a particular stage. Our experiments show that RUPAM is able to improve the performance of representative applications by up to 62.3% compared to the standard Spark scheduler.
Computer Science↗
VisIRR: A Visual Analytics System for Information Retrieval and Recommendation for Large-Scale Document Data
In this paper, we present an interactive visual information retrieval and recommendation system, called VisIRR, for large-scale document discovery. VisIRR effectively combines the paradigms of (1) a passive pull through query processes for retrieval and (2) an active push that recommends items of potential interest to users based on their preferences. Equipped with an efficient dynamic query interface against a large-scale corpus, VisIRR organizes the retrieved documents into high-level topics and visualizes them in a 2D space, representing the relationships among the topics along with their keyword summary. In addition, based on interactive personalized preference feedback with regard to documents, VisIRR provides document recommendations from the entire corpus, which are beyond the retrieved sets. Such recommended documents are visualized in the same space as the retrieved documents, so that users can seamlessly analyze both existing and newly recommended ones. This article presents novel computational methods, which make these integrated representations and fast interactions possible for a large-scale document corpus. We illustrate how the system works by providing detailed usage scenarios. Finally, we present preliminary user study results for evaluating the effectiveness of the system.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
MPI-FAUN: An MPI-Based Framework for Alternating-Updating Nonnegative Matrix Factorization
Non-negative matrix factorization (NMF) is the problem of determining two non-negative low rank factors W and H, for the given input matrix A, such that A≈WH. NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient parallel algorithms to solve the problem for big data sets. The main contribution of this work is a new, high-performance parallel computational framework for a broad class of NMF algorithms that iteratively solves alternating non-negative least squares (NLS) subproblems for W and H. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). The framework is flexible and able to leverage a variety of NMF and NLS algorithms, including Multiplicative Update, Hierarchical Alternating Least Squares, and Block Principal Pivoting. Our implementation allows us to benchmark and compare different algorithms on massive dense and sparse data matrices of size that spans from few hundreds of millions to billions. We demonstrate the scalability of our algorithm and compare it with baseline implementations, showing significant performance improvements. The code and the datasets used for conducting the experiments are available online.
2D↗
Kernels for scalable data analysis in science: Towards an architecture-portable future
In this paper, we pose and address some of the unique challenges in the analysis of scientific Big Data on supercomputing platforms. Our approach identifies, implements and scales numerical kernels that are critical to the instantiation of theory-inspired analytic workflows on modern computing architectures. We present the benefits of scalable kernels towards constructing algorithms such as principal component analysis and non-negative matrix factorization on an image-analysis use case at the Oak Ridge Leadership Computing Facility (OLCF). Based on experience with the use-case, we conclude that piecing scalable analytic kernels into user-defined analytic workflows are a flexible, modular and agile way to enable architecture-portable productivity for the data-intensive sciences.
Sukumar, Sreenivas R.↗
Mini-apps for high performance data analysis
Scaling-up scientific data analysis and machine learning algorithms for data-driven discovery is a grand challenge that we face today. Despite the growing need for analysis from science domains that are generating `Big Data' from instruments and simulations, building high-performance analytical workflows of data-intensive algorithms have been daunting because: (i) the `Big Data' hardware and software architecture landscape is constantly evolving, (ii) newer architectures impose new programming models, and (iii) data-parallel kernels of analysis algorithms and their performance facets on different architectures are poorly understood. To address these problems, we have: (i) identified scalable data-parallel kernels of popular data analysis algorithms, (ii) implemented `Mini-Apps' of those kernels using different programming models (e.g. Map Reduce, MPI, etc.), (iii) benchmarked and validated the performance of the kernels in diverse architectures. In this paper, we discuss two of those Mini-Apps and show the execution of principal component analysis built as a workflow of the Mini-Apps. We show that Mini-Apps enable scientists to (i) write domain-specific data analysis code that scales on most HPC hardware and (ii) and offers the ability (most times with over a 10x speed-up) to analyze data sizes 100 times the size of what off-the-shelf desktop/workstations of today can handle.
Sukumar, Sreenivas R.↗