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Benjamin A. Neely

Publications and source records attributed to Benjamin A. Neely.

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Agentic AI-assisted coding offers a unique opportunity to instill epistemic grounding during software development

The capabilities of AI-assisted coding are progressing at breakneck speed. Chat-based vibe coding has evolved into fully fledged AI-assisted, agentic software development using agent scaffolds where the human developer creates a plan that agentic AIs implement. One current trend is utilizing documents beyond this plan document, such as project and method-scoped documents. Here we propose GROUNDING$.$md, a community-governed, field-scoped epistemic grounding document, using mass spectrometry-based proteomics as an example. We have drafted a file specific to proteomics: proteomics_GROUNDING$.$md (available at https://github.com/OmicsGrounding/proteomics-grounding) to demonstrate what a GROUNDING$.$md would look like. This explicit field-scoped grounding document encodes Hard Constraints (non-negotiable validity invariants empirically required for scientific correctness) and Convention Parameters (community-agreed defaults) that override all other contexts to enforce validity, regardless of what the user prompts. In practice, this will empower a non-domain expert to generate code, tools, and software that have best practices baked in at the ground level, providing confidence to the software developer but also to those reviewing or using the final product. Undoubtedly it is easier to have agentic AIs adhere to guidelines than humans, and this opportunity allows for organizations to develop epistemic grounding documents in such a way as to keep domain experts in the loop in a future of democratized generation of bespoke software solutions.

cs.SE

Comprehensive Overview of Bottom-up Proteomics using Mass Spectrometry

Proteomics is the large scale study of protein structure and function from biological systems through protein identification and quantification. "Shotgun proteomics" or "bottom-up proteomics" is the prevailing strategy, in which proteins are hydrolyzed into peptides that are analyzed by mass spectrometry. Proteomics studies can be applied to diverse studies ranging from simple protein identification to studies of proteoforms, protein-protein interactions, protein structural alterations, absolute and relative protein quantification, post-translational modifications, and protein stability. To enable this range of different experiments, there are diverse strategies for proteome analysis. The nuances of how proteomic workflows differ may be challenging to understand for new practitioners. Here, we provide a comprehensive overview of different proteomics methods to aid the novice and experienced researcher. We cover from biochemistry basics and protein extraction to biological interpretation and orthogonal validation. We expect this work to serve as a basic resource for new practitioners in the field of shotgun or bottom-up proteomics.

q-bio.QM