Managing Machine Learning Workflow Components

Machine Learning Workflows (MLWfs) have become essential and a disruptive approach in problem-solving over several industries. However, the development process of MLWfs may be complicated, hard to achieve, time-consuming, and error-prone. To handle this problem, in this paper, we introduce machine learning workflow management (MLWfM) as a technique to aid the development and reuse of MLWfs and their components through three aspects: representation, execution, and creation. More precisely, we discuss our approach to structure the MLWfs' components and their metadata to aid retrieval and reuse of components in new MLWfs. Also, we consider the execution of these components within a tool. The hybrid knowledge representation, called Hyperknowledge, frames our methodology, supporting the three MLWfM's aspects. To validate our approach, we show a practical use case in the Oil & Gas industry.Comment: 12 pages, 3 figures, to appear at the International Journal of Semantic Computing, 14(2), 202

Workflow Provenance in the Lifecycle of Scientific Machine Learning

Machine Learning (ML) has already fundamentally changed several businesses. More recently, it has also been profoundly impacting the computational science and engineering domains, like geoscience, climate science, and health science. In these domains, users need to perform comprehensive data analyses combining scientific data and ML models to provide for critical requirements, such as reproducibility, model explainability, and experiment data understanding. However, scientific ML is multidisciplinary, heterogeneous, and affected by the physical constraints of the domain, making such analyses even more challenging. In this work, we leverage workflow provenance techniques to build a holistic view to support the lifecycle of scientific ML. We contribute with (i) characterization of the lifecycle and taxonomy for data analyses; (ii) design principles to build this view, with a W3C PROV compliant data representation and a reference system architecture; and (iii) lessons learned after an evaluation in an Oil & Gas case using an HPC cluster with 393 nodes and 946 GPUs. The experiments show that the principles enable queries that integrate domain semantics with ML models while keeping low overhead (<1%), high scalability, and an order of magnitude of query acceleration under certain workloads against without our representation.Comment: 21 pages, 10 figures, Under review in a scientific journal since June 30th, 2020. arXiv admin note: text overlap with arXiv:1910.0422