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Modern software development demands code that is maintainable, testable, and scalable by organizing the implementation into modular components with iterative reuse of existing codes. We formalize this iterative, multi-turn paradigm as…
In high-stakes domains such as healthcare and finance, effective decision-making demands not just accurate outcomes but transparent and explainable reasoning. However, current language models often lack the structured deliberation needed…
Clinical decision support systems require models that are not only highly accurate but also equitable and sensitive to the implications of missed diagnoses. In this study, we introduce a knowledge-guided in-context learning (ICL) framework…
Biomedical research results are being published at a high rate, and with existing search engines, the vast amount of published work is usually easily accessible. However, reproducing published results, either experimental data or…
Recent advancements in large language models (LLMs) have driven a revolutionary paradigm shift in process automation from Robotic Process Automation to Agentic Process Automation by automating the workflow orchestration procedure based on…
In the ever-evolving landscape of scientific computing, properly supporting the modularity and complexity of modern scientific applications requires new approaches to workflow execution, like seamless interoperability between different…
Process malleability has proved to have a highly positive impact on the resource utilization and global productivity in data centers compared with the conventional static resource allocation policy. However, the non-negligible additional…
Large Language Models (LLMs) often struggle with code generation tasks involving niche software libraries. Existing code generation techniques with only human-oriented documentation can fail -- even when the LLM has access to web search and…
Machine learning (ML) offers powerful methods for detecting and modeling associations often in data with large feature spaces and complex associations. Many useful tools/packages (e.g. scikit-learn) have been developed to make the various…
Designing modern imitation learning (IL) policies requires making numerous decisions, including the selection of feature encoding, architecture, policy representation, and more. As the field rapidly advances, the range of available options…
Scientific workflows have been predominantly used for complex and large scale data analysis and scientific computation/automation and the need for robust workflow scheduling techniques has grown considerably. But, most of the existing…
As large language models (LLMs) advance, the ultimate vision for their role in science is emerging: we could build an AI collaborator to effectively assist human beings throughout the entire scientific research process. We refer to this…
Accurate prediction of resource consumption and runtime for cloud workflow jobs is critical for scheduling efficiency, yet remains challenging due to the semi-structured nature of job configurations -- comprising shell commands,…
Machine learning (ML) approaches have demonstrated promising results in a wide range of healthcare applications. Data plays a crucial role in developing ML-based healthcare systems that directly affect people's lives. Many of the ethical…
As the shortage of skilled workers continues to be a pressing issue, exacerbated by demographic change, it is becoming a critical challenge for organizations to preserve the knowledge of retiring experts and to pass it on to novices. While…
Recently, Large Language Models (LLM) have demonstrated impressive capability to solve a wide range of tasks. However, despite their success across various tasks, no prior work has investigated their capability in the biomedical domain yet.…
Large language models (LLMs) are typically trained on general source data for various domains, but a recent surge in domain-specific LLMs has shown their potential to outperform general-purpose models in domain-specific tasks (e.g.,…
There are many science applications that require scalable task-level parallelism and support for flexible execution and coupling of ensembles of simulations. Most high-performance system software and middleware, however, are designed to…
A key hurdle is demonstrating compute resource capability with limited benchmarks. We propose workflow templates as a solution, offering adaptable designs for specific scientific applications. Our paper identifies common usage patterns for…
Scientific machine learning (SciML) models are transforming many scientific disciplines. However, the development of good modeling practices to increase the trustworthiness of SciML has lagged behind its application, limiting its potential…