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In the past few decades, the life sciences have experienced an unprecedented accumulation of data, ranging from genomic sequences and proteomic profiles to heavy-content imaging, clinical assays, and commercial biological products for…
Scientists today collect, analyze, and generate TeraBytes and PetaBytes of data. These data are often shared and further processed and analyzed among collaborators. In order to facilitate sharing and data interpretations, data need to carry…
Scientific workflow applications have become mainstream and their automated and efficient execution on large-scale compute platforms is the object of extensive research and development. For these efforts to be successful, a solid…
Autoscaling has become a baseline expectation for cloud-native big data processing, and the design space has expanded beyond rule-based heuristics to include learned controllers and, most recently, large language model (LLM) agents. Yet…
Provenance for database queries or scientific workflows is often motivated as providing explanation, increasing understanding of the underlying data sources and processes used to compute the query, and reproducibility, the capability to…
Data provenance (the process of determining the origin and derivation of data outputs) has applications across multiple domains including explaining database query results and auditing scientific workflows. Despite decades of research,…
Data provenance collects comprehensive information about the events and operations in a computer system at both application and system levels. It provides a detailed and accurate history of transactions that help delineate the data flow…
The emergence of Big Data in recent years has resulted in a growing need for efficient data processing solutions. While infrastructures with sufficient compute power are available, the I/O bottleneck remains. The Linux page cache is an…
Many algorithms in workflow scheduling and resource provisioning rely on the performance estimation of tasks to produce a scheduling plan. A profiler that is capable of modeling the execution of tasks and predicting their runtime…
Large systems biology projects can encompass several workgroups often located in different countries. An overview about existing data standards in systems biology and the management, storage, exchange and integration of the generated data…
Scientific applications in HPC environment are more com-plex and more data-intensive nowadays. Scientists usually rely on workflow system to manage the complexity: simply define multiple processing steps into a single script and let the…
Biopharmaceutical manufacturing is a rapidly growing industry with impact in virtually all branches of medicines. Biomanufacturing processes require close monitoring and control, in the presence of complex bioprocess dynamics with many…
Scientific workflows are powerful tools for management of scalable experiments, often composed of complex tasks running on distributed resources. Existing cyberinfrastructure provides components that can be utilized within repeatable…
Experimental science is increasingly driven by instruments that produce vast volumes of data and thus a need to manage, compute, describe, and index this data. High performance and distributed computing provide the means of addressing the…
ProvenanceWidgets is an existing JavaScript library that tracks the recency and frequency of user interactions with individual UI controls (e.g., range sliders and dropdowns) and dynamically overlays this provenance onto them. In this work,…
Cloud computing recently developed into a viable alternative to on-premises systems for executing high-performance computing (HPC) applications. With the emergence of new vendors and hardware options, there is now a growing need to…
There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…
Neuromorphic computing shows promise for advancing computing efficiency and capabilities of AI applications using brain-inspired principles. However, the neuromorphic research field currently lacks standardized benchmarks, making it…
In long-lasting scientific workflow executions in HPC machines, computational scientists (the users in this work) often need to fine-tune several workflow parameters. These tunings are done through user steering actions that may…
In silico tools are important for generating novel hypotheses and exploring alternatives in de novo metabolic pathway design. However, while many computational frameworks have been proposed for retrobiosynthesis, few successful examples of…