让AI助手懂科学软件规范,能审计、可复现、易扩展。
LLMoxie: Exploring Agentic AI for Scientific Software Development
- 构建三层架构平台,集成多云与本地推理,支持安全管控与可观测性。
- 通过开源插件生态实现科研软件全流程管理,覆盖六阶段研发流程。
- 适合科研团队提升代码可复现性,尤其适用于天文、气候等多领域项目。
本文介绍LLMoxie,一个面向科研软件工程(RSE)的机构级AI平台。其三层次架构支持多云与本地推理,包含LiteLLM/MLflow控制平面,用于认证、预算管理、敏感信息掩码和可观测性,并设有应用增强层以支持AI编码代理。顶层为开源的RSE-Plugins生态系统,将积累的科研软件经验编码为插件-代理-技能层级,涵盖科学Python实践、领域知识、六阶段研究与开发流程及项目生命周期管理。科研软件的价值不在于代码质量本身,而在于是否可引用、可审计、可复现和可扩展。现有通用AI编码代理针对商业软件基准优化,对科学计算场景适配不足:它们忽略所调用科学库的惯例,处理敏感或受控数据不当,且难以追溯决策过程。我们在大学级RSE中心开展了为期二十个月的实践,涵盖天文学、地球与气候科学、农业及健康等多个领域项目。研究揭示了在多领域RSE中心部署智能体式AI时面临的基础设施、治理与流程挑战,介绍了平台与插件设计,并提炼出自真实部署中获得的操作经验。平台与插件共同将通用代码生成器转变为尊重社区规范、具备可审计技术推理记录的领域认知协作者。
原文摘要 · Abstract (English)
In this paper, we describe LLMoxie, an institutional AI platform whose three-tiered architecture supports multi-cloud and on-premise inference, a LiteLLM/MLflow control plane for authentication, budgeting, PII masking, and observability, and an application augmentation layer for AI coding agents. Layered on top, an open-source RSE-Plugins ecosystem encodes accumulated RSE knowledge as a Plugin-Agent-Skill hierarchy spanning scientific Python practice, domain-specific knowledge, a six-phase research-and-implement workflow, and project lifecycle management. Scientific software is judged less by raw code quality than by whether it can be cited, audited, reproduced, and extended. Off-the-shelf AI coding agents, optimized against commercial software benchmarks, are poorly calibrated for this setting: they ignore the conventions of the scientific Python libraries they invoke, mishandle sensitive or embargoed data, and leave decision trails that are difficult to reconstruct after the fact. We report on twenty months of practice at a university-based research software engineering (RSE) center, where RSEs embedded across astronomy, earth and climate science, agriculture, and health projects worked to close this gap. We characterize the recurring infrastructure, governance, and process challenges of adopting Agentic AI inside a multi-domain RSE center, describe the platform and plugin design, and distill operational lessons from real scientific software deployments. Together, the platform and plugins shift AI coding agents from generic code generators into domain-aware collaborators that respect community norms and produce auditable provenance of technical reasoning.
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