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As modern scientific instruments generate vast amounts of data and the volume of information in the scientific literature continues to grow, machine learning (ML) has become an essential tool for organising, analysing, and interpreting…
Running scientific workflows on a supercomputer can be a daunting task for a scientific domain specialist. Workflow management solutions (WMS) are a standard method for reducing the complexity of application deployment on high performance…
Current trends point to a future where large-scale scientific applications are tightly-coupled HPC/AI hybrids. Hence, we urgently need to invest in creating a seamless, scalable framework where HPC and AI/ML can efficiently work together…
We present a fully modular and scalable software pipeline for processing electron microscope (EM) images of brain slices into 3D visualization of individual neurons and demonstrate an end-to-end segmentation of a large EM volume using a…
With the growing popularity of shared resources, large volumes of complex data of different types are collected automatically. Traditional data mining algorithms generally have problems and challenges including huge memory cost, low…
Scientific computing is an essential tool for scientific discovery and engineering design, and its computational cost is always a main concern in practice. To accelerate scientific computing, it is a promising approach to use machine…
Scientific knowledge increasingly depends on complex computational processes where both hardware and software layers can influence research outcomes. As computational complexity grows, classical-quantum integration provides a lens for…
Provenance plays a crucial role in scientific workflow execution, for instance by providing data for failure analysis, real-time monitoring, or statistics on resource utilization for right-sizing allocations. The workflows themselves,…
Increasingly, scientific discovery requires sophisticated and scalable workflows. Workflows have become the ``new applications,'' wherein multi-scale computing campaigns comprise multiple and heterogeneous executable tasks. In particular,…
We propose and analyze a family of information processing systems, where a finite set of experts or servers are employed to extract information about a stream of incoming jobs. Each job is associated with a hidden label drawn from some…
Parallel programs in high performance computing (HPC) continue to grow in complexity and scale in the exascale era. The diversity in hardware and parallel programming models make developing, optimizing, and maintaining parallel software…
Safe Policy Improvement (SPI) aims at provable guarantees that a learned policy is at least approximately as good as a given baseline policy. Building on SPI with Soft Baseline Bootstrapping (Soft-SPIBB) by Nadjahi et al., we identify…
We develop a new continual meta-learning method to address challenges in sequential multi-task learning. In this setting, the agent's goal is to achieve high reward over any sequence of tasks quickly. Prior meta-reinforcement learning…
Physics-driven discovery in an autonomous experiment has emerged as a dream application of machine learning in physical sciences. Here we develop and experimentally implement a deep kernel learning workflow combining the correlative…
Heterogeneous computing systems, which combine general-purpose processors with specialized accelerators, are increasingly important for optimizing the performance of modern applications. A central challenge is to decide which parts of an…
Scientific innovation relies on detailed workflows, which include critical steps such as analyzing literature, generating ideas, validating these ideas, interpreting results, and inspiring follow-up research. However, scientific…
Transparent and standardized reporting is essential for reproducible scientific research, yet adherence to reporting guidelines remains inconsistent because of the manual effort required to select and complete checklists. We present…
In recent years, Predictive Process Mining (PPM) techniques based on artificial neural networks have evolved as a method for monitoring the future behavior of unfolding business processes and predicting Key Performance Indicators (KPIs).…
Automated data preparation is crucial for democratizing machine learning, yet existing reinforcement learning (RL) based approaches suffer from inefficient exploration in the vast space of possible preprocessing pipelines. We present…
The breakthrough in Deep Learning neural networks has transformed the use of AI and machine learning technologies for the analysis of very large experimental datasets. These datasets are typically generated by large-scale experimental…