Papers for
laboratory automation engineers
Papers whose findings have a practical use for this group, as judged from the abstract. Open a paper to read what it means in practice.
Ai systems improve managing scientific computing workflows and reproducibility
AI-Driven Scientific Computing Workflows: A Systems Review of Orchestration, Execution, Reproducibility and Provenance
Abstract: Artificial intelligence (AI) is increasingly embedded within scientific computing workflows that combine simulation, data processing, optimisation, visualisation and experimental or observational components. Learned models may serve as explicit workflow components, retain persistent state and, in adaptive settings, influence subsequent computation. Existing work has characterised scientific workflow management systems, dynamic and steered workflows, AI--HPC coupling motifs and the machine-learning lifecycle, although these areas are often discussed separately. This review brings them together from a systems perspective. We distinguish conventional scientific workflows, machine-learning pipelines, AI-coupled high-performance computing (HPC) workflows and broader automated research workflows, and propose a continuum describing the depth of AI participation from a computational stage to co-adaptive workflow control. The associated systems requirements are organised around five concerns: control and orchestration; compute and execution; data and model state; reproducibility and provenance; and governance and assurance. Representative systems and applications include AI-steered molecular simulation, drug and materials discovery, simulation--surrogate coupling and distributed self-driving laboratories. Workflow-level evaluation is considered in terms of scientific progress, execution cost, data movement, resource use, resilience and decision traceability. We conclude by identifying open problems in dynamic workflow representation, state-aware recovery, heterogeneous scheduling, interoperable data planes, model-mediated decision provenance and reproducible adaptive execution.
MARC predicts consensus maps to improve cell segmentation in spatial transcriptomics
MARC: Morphology-Aware Regression of Consensus for Cell Segmentation in Subcellular Spatial Transcriptomics
Abstract: Accurate cell segmentation remains a major bottleneck in subcellular spatial transcriptomics (SST), in which morphological images and spatially resolved RNA transcripts are used to partition tissues into individual cellular instances. As segmentation serves as the foundation for constructing cell-level representations, boundary errors can lead to incorrect transcript assignments and compromise downstream analyses. However, reliable ground-truth boundaries are unavailable because they must be inferred from incomplete morphological and transcript signals. Furthermore, manual annotation of a large number of cells is time-consuming. Agreement among complementary segmentation methods provides a practical surrogate for identifying well-supported and ambiguous regions, but explicit consensus construction requires executing multiple computationally intensive pipelines. In this study, we propose MARC (Morphology-Aware Regression of Consensus), a framework that predicts a multi-method consensus-support map for SST segmentation. MARC is trained with leave-one-method-out consensus pseudo-targets and a Foreground-Union Consensus Loss that focuses supervision on candidate and consensus foreground. We evaluated MARC on 4,642 held-out tiles from Xenium kidney tissue, achieving a mean Dice score of 0.90, a mean intersection-over-union of 0.82, and a mean cell-level Spearman correlation of 0.79 against explicitly computed cross-method consensus maps. We demonstrate that the predicted consensus maps localise weakly supported regions while preserving consensus-based rankings and identifying low-consensus cells for manual review. These results show that MARC closely approximates explicit cross-method consensus without multi-method inference and therefore has the potential to facilitate robust, consensus-aware evaluation of cell segmentation in large-scale SST studies.