Influenced by the advances in data and computing, the scientific practice increasingly involves machine learning and artificial intelligence driven methods which requires specialized capabilities at the system-, science- and service-level in addition to the conventional large-capacity supercomputing approaches. The latest distributed architectures built around the composability of data-centric applications led to the emergence of a new ecosystem for container coordination and integration. However, there is still a divide between the application development pipelines of existing supercomputing environments, and these new dynamic environments that disaggregate fluid resource pools through accessible, portable and re-programmable interfaces. New approaches for dynamic composability of heterogeneous systems are needed to further advance the data-driven scientific practice for the purpose of more efficient computing and usable tools for specific scientific domains. In this paper, we present a novel approach for using composable systems in the intersection between scientific computing, artificial intelligence (AI), and remote sensing domain. We describe the architecture of a first working example of a composable infrastructure that federates Expanse, an NSF-funded supercomputer, with Nautilus, a Kubernetes-based GPU geo-distributed cluster. We also summarize a case study in wildfire modeling, that demonstrates the application of this new infrastructure in scientific workflows: a composed system that bridges the insights from edge sensing, AI and computing capabilities with a physics-driven simulation.

HTCondor is a major workload management system used in distributed high throughput computing (dHTC) environments, e.g., the Open Science Grid. One of the distinguishing features of HTCondor is the native support for data movement, allowing it to operate without a shared filesystem. Coupling data handling and compute scheduling is both convenient for users and allows for significant infrastructure flexibility but does introduce some limitations. The default HTCondor data transfer mechanism routes both the input and output data through the submission node, making it a potential bottleneck. In this document we show that by using a node equipped with a 100 Gbps network interface (NIC) HTCondor can serve data at up to 90 Gbps, which is sufficient for most current use cases, as it would saturate the border network links of most research universities at the time of writing.

In 2016, a team of earth scientists directly engaged a team of computer scientists to identify cyberinfrastructure (CI) approaches that would speed up an earth science workflow. This paper describes the evolution of that workflow as the two teams bridged CI and an image segmentation algorithm to do large scale earth science research. The Pacific Research Platform (PRP) and The Cognitive Hardware and Software Ecosystem Community Infrastructure (CHASE-CI) resources were used to significantly decreased the earth science workflow's wall-clock time from 19.5 days to 53 minutes. The improvement in wall-clock time comes from the use of network appliances, improved image segmentation, deployment of a containerized workflow, and the increase in CI experience and training for the earth scientists. This paper presents a description of the evolving innovations used to improve the workflow, bottlenecks identified within each workflow version, and improvements made within each version of the workflow, over a three-year time period.

High resolution satellite imagery is a growing source of data with potential applications in many diverse domains. Efficient large scale analysis of this rich data can lead to unprecedented discoveries with societal impact. We present a new framework for organizing collections of satellite images into demographically relevant categories using unsupervised learning techniques. Our framework first extracts features using pre-trained Convolutional Neural Networks from tiles of high resolution satellite images of a city. The k-means algorithm is then applied to these features to organize images into visually similar groups. The resulting clustered images are validated using demographic data. The cluster model is then applied to six different cities around the world to test the transferability of our methods. Finally, the discovered image clusters are visualized in our customized web interface to enable demographers, social scientists, and economists to understand the organization of a city.