# Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

arXiv: https://arxiv.org/abs/2510.03413 · HTML: https://mlsanity.com/paper/2510.03413/

## Key facts

- Cited by 2 papers in the map (data through 14 Oct 2026).
- Builds on 12 of its 65 references that are in the map.
- First posted on arXiv 3 Oct 2025.

## Builds on (most cited first, 12 of 12)

- [The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery](https://mlsanity.com/paper/2408.06292/) (2024)
- [LlamaFirewall: An open source guardrail system for building secure AI agents](https://mlsanity.com/paper/2505.03574/) (2025)
- [Weak baselines and reporting biases lead to overoptimism in machine learning for fluid-related partial differential equations](https://mlsanity.com/paper/2407.07218/) (2024)
- [Robin: A multi-agent system for automating scientific discovery](https://mlsanity.com/paper/2505.13400/) (2025)
- [LLMs are Greedy Agents: Effects of RL Fine-tuning on Decision-Making Abilities](https://mlsanity.com/paper/2504.16078/) (2025)
- [Research and Education in Computational Science and Engineering](https://mlsanity.com/paper/1610.02608/) (2016)
- [A cast of thousands: How the IDEAS Productivity project has advanced software productivity and sustainability](https://mlsanity.com/paper/2311.02010/) (2023)
- [Shock with Confidence: Formal Proofs of Correctness for Hyperbolic Partial Differential Equation Solvers](https://mlsanity.com/paper/2503.13877/) (2025)
- [Talk to Me: A Case Study on Coordinating Expertise in Large-Scale Scientific Software Projects](https://mlsanity.com/paper/1809.06317/) (2018)
- [Community Organizations: Changing the Culture in Which Research Software Is Developed and Sustained](https://mlsanity.com/paper/1811.08473/) (2018)
- [Report of the DOE/NSF Workshop on Correctness in Scientific Computing, June 2023, Orlando, FL](https://mlsanity.com/paper/2312.15640/) (2023)
- [Toward a Cohesive AI and Simulation Software Ecosystem for Scientific Innovation](https://mlsanity.com/paper/2411.09507/) (2024)

## Built on by (most cited first, 2 of 2)

- [Talk Freely, Execute Strictly: Schema-Gated Agentic AI for Flexible and Reproducible Scientific Workflows](https://mlsanity.com/paper/2603.06394/) (2026)
- [LLMoxie: Exploring Agentic AI for Scientific Software Development](https://mlsanity.com/paper/2607.02703/) (2026)

## Abstract (arXiv)

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national laboratories, academia, industry, and community organizations to chart a path toward more powerful, sustainable, and collaborative scientific software ecosystems. To address urgent challenges at the intersection of high-performance computing (HPC), AI, and scientific software, participants envisioned agile, robust ecosystems built through socio-technical co-design--the intentional integration of social and technical components as interdependent parts of a unified strategy. This approach combines advances in AI, HPC, and software with new models for cross-disciplinary collaboration, training, and workforce development. Key recommendations include building modular, trustworthy AI-enabled scientific software systems; enabling scientific teams to integrate AI systems into their workflows while preserving human creativity, trust, and scientific rigor; and creating innovative training pipelines that keep pace with rapid technological change. Pilot projects were identified as near-term catalysts, with initial priorities focused on hybrid AI/HPC infrastructure, cross-disciplinary collaboration and pedagogy, responsible AI guidelines, and prototyping of public-private partnerships. This report presents a vision of next-generation ecosystems for scientific computing where AI, software, hardware, and human expertise are interwoven to drive discovery, expand access, strengthen the workforce, and accelerate scientific progress.