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Translating statistical methods into reliable software is a persistent bottleneck in quantitative research. Existing AI code-generation tools produce code quickly but cannot guarantee faithful implementation -- a critical requirement for…
Scientific workflows are a cornerstone of modern scientific computing. They are used to describe complex computational applications that require efficient and robust management of large volumes of data, which are typically stored/processed…
Computational reproducibility is fundamental to trustworthy science, yet remains difficult to achieve in practice across various research workflows, including Jupyter notebooks published alongside scholarly articles. Environment drift,…
Efficient reproduction of research papers is pivotal to accelerating scientific progress. However, the increasing complexity of proposed methods often renders reproduction a labor-intensive endeavor, necessitating profound domain expertise.…
Notebooks provide an interactive environment for programmers to develop code, analyse data and inject interleaved visualizations in a single environment. Despite their flexibility, a major pitfall that data scientists encounter is…
Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers,…
Modern science clearly demands for a higher level of reproducibility and collaboration. To make research fully reproducible one has to take care of several aspects: research protocol description, data access, environment preservation,…
Computational notebooks are notoriously prone to reproducibility failures. By permitting out-of-order cell execution, notebooks accumulate hidden state and implicit dependencies that cause interactive executions to silently diverge from…
Generative artificial intelligence has revolutionized the exploration of chemical space, yet a critical bottleneck remains that a substantial fraction of generated molecules is synthetically inaccessible. Current solutions, such as post-hoc…
The use of generative AI (GenAI) tools has fundamentally transformed software development. Central to this shift is prompt engineering, the practice of crafting textual prompts to guide GenAI tools in generating useful content. Although…
As the basis of generative AI, an autoregressive model requires the generation of a new token depending on all the previously generated tokens, which brings high quality but also restricts the model to generate tokens one by one, forming a…
Calculating the similarities between a pair of genomic sequences is one of the most fundamental computational steps in genomic analysis. This step -- called sequence alignment -- is the computational bottleneck because: (1) it is…
Context: Jupyter Notebook has emerged as a versatile tool that transforms how researchers, developers, and data scientists conduct and communicate their work. As the adoption of Jupyter notebooks continues to rise, so does the interest from…
Reproducibility is increasingly important to statistical research, but many details are often omitted from the published version of complex statistical analyses. A reader's comprehension is limited to what the author concludes, without…
Due to the complexity of robotics, the reproducibility of results and experiments is one of the fundamental problems in robotics research. While the problem has been identified by the community, the approaches that address the problem…
Open-source scientific software is abundant, yet most tools remain difficult to compile, configure, and reuse, sustaining a small-workshop mode of scientific computing. This deployment bottleneck limits reproducibility, large-scale…
The development of Artificial Intelligence (AI) enables humans to co-create content with machines. The unexpectedness of AI-generated content can bring inspiration and entertainment to users. However, the co-creation interactions are always…
Given a large and evolving codebase, the ability to automatically generate holistic, architecture-aware documentation that captures not only individual functions but also cross-file, cross-module, and system-level interactions remains an…
To increase performance and efficiency, systems use FPGAs as reconfigurable accelerators. A key challenge in designing these systems is partitioning computation between processors and an FPGA. An appropriate division of labor may be…
We present \textsc{WisPaper}, an end-to-end agent system that transforms how researchers discover, organize, and track academic literature. The system addresses two fundamental challenges. (1)~\textit{Semantic search limitations}: existing…