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Scientists are increasingly leveraging advances in instruments, automation, and collaborative tools to scale up their experiments and research goals, leading to new bursts of discovery. Various scientific disciplines, including…
The amount of data generated by numerical simulations in various scientific domains such as molecular dynamics, climate modeling, biology, or astrophysics, led to a fundamental redesign of application workflows. The throughput and the…
The increasingly collaborative, globalized nature of scientific research combined with the need to share data and the explosion in data volumes present an urgent need for a scientific data management system (SDMS). An SDMS presents a…
Many fields of science rely on relational database management systems to analyze, publish and share data. Since RDBMS are originally designed for, and their development directions are primarily driven by, business use cases they often lack…
Motivation: Building and iterating machine learning models is often a resource-intensive process. In biomedical research, scientific codebases can lack scalability and are not easily transferable to work beyond what they were intended.…
Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a…
Despite recent advances in AI, the development of systems capable of executing complex, multi-step reasoning tasks involving multiple tools remains a significant challenge. Current benchmarks fall short in capturing the real-world…
Water scarcity and the low quality of wastewater produced in industrial applications present significant challenges, particularly in managing fresh water intake and reusing residual quantities. These issues affect various industries,…
Wireless sensor networks (WSNs), one of the fundamental technologies of the Internet of Things (IoT), can provide sensing and communication services efficiently for IoT-based applications, especially energy-limited applications. Clustering…
Data processing pipelines need to be executed at scales ranging from small runs up through large production data release runs resulting in millions of data products. As part of the Rubin Observatory's pipeline execution system, BPS is the…
Just like the scientific data they generate, simulation workflows for research should be findable, accessible, interoperable, and reusable (FAIR). However, while significant progress has been made towards FAIR data, the majority of science…
Cyber-Physical Systems (CPSs) tightly interconnect digital and physical operations within production environments, enabling real-time monitoring, control, optimization, and autonomous decision-making that directly enhance manufacturing…
In this paper, we propose an architecture for a security-aware workflow management system (WfMS) we call SecFlow in answer to the recent developments of combining workflow management systems with Cloud environments and the still lacking…
Datacenters are the main infrastructure on top of which cloud computing services are offered. Such infrastructure may be shared by a large number of tenants and applications generating a spectrum of datacenter traffic. Delay sensitive…
Self-powered intermittent systems typically adopt runtime checkpointing as a means to accumulate computation progress across power cycles and recover system status from power failures. However, existing approaches based on the checkpointing…
A common workflow in science and engineering is to (i) setup and deploy large experiments with tasks comprising an application and multiple parameter values; (ii) generate intermediate results; (iii) analyze them; and (iv) reprioritize the…
This article presents an experiment focused on optimizing the MLOps (Machine Learning Operations) process, a crucial aspect of efficiently implementing machine learning projects. The objective is to identify patterns and insights to enhance…
Despite the rapid progress of multimodal large language models in building Graphical User Interface (GUI) agents, their real-world task completion is fundamentally bottlenecked by a lack of world knowledge about GUI operations. Existing…
Workflows are critical for scientific discovery. However, the sophistication, heterogeneity, and scale of workflows make building, testing, and optimizing them increasingly challenging. Furthermore, their complexity and heterogeneity make…
Motivation: Flow Injection Analysis coupled to High-Resolution Mass Spectrometry (FIA-HRMS) is a promising approach for high-throughput metabolomics. FIA-HRMS data, however, cannot be preprocessed with current software tools which rely on…