Linking scientific instruments and computation: Patterns, technologies, and experiences

Towards a modular architecture for science factories

“…These services have been used extensively, for example, to automate flows used to analyze data from, and provide on-line feedback to, X-ray source facilities. 44 As an example of the use of Globus services, the color picker application of Section 4.1 (and ESI A.4†) employs Globus Compute 50 to run a data analysis routine and Globus Search to publish experimental results to a cloud-hosted search index.…”

“…Autonomous discovery systems must also engage with computing and data resources. Vescovi et al 44 survey and describe methods for implementing computational flows that link scientific instruments with computing, data repositories, and other resources, leveraging Globus cloud-hosted services for reliable and secure execution. The materials acceleration operating system in cloud (MAOSIC) platform 45 hosts analysis procedures in the cloud.…”

What is missing in autonomous discovery: open challenges for the community

“…While we will rst describe the current state of the eld, this is by no means a comprehensive review, and we encourage the reader toward reviews and perspectives of SDLs and autonomous experimentation. [1][2][3][4][5][6][7][8][9][10][11][12][13][14]16,[23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38] Following this, we will turn our attention to barriers and opportunities associated with data, hardware, knowledge generation, scaling, education, and ethics. As the eld of autonomous experimentation grows and SDLs become more common, we hope to see rapid growth in scientic discovery.…”

Virtual Infrastructure Twin for Computing-Instrument Ecosystems: Software and Measurements

“…Advanced science workflows are being orchestrated over increasingly complex ecosystems of physical instruments, such as neutron and light sources and microscopes, and computing platforms that execute complex codes for simulations and AI analytics [1], [2]. These computing-instrument ecosystems may be at various stages of development, ranging from new conceptual designs to software and hardware upgrades to production systems.…”