arXiv AI

Structuring agentic AI for HPC code modernization

arXiv:2606. 08710v1 Announce Type: cross Abstract: Modernization of legacy scientific codes is often necessary to keep up with the ever-evolving changes in the compute resource ecosystem.

arXiv AI
5d ago

PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research

arXiv:2512. 19799v2 Announce Type: replace Abstract: Advances in LLM reasoning and tool use have enabled agentic science, yet frontier theoretical and computational physics remains challenging because research requires deep domain expertise, long-horizon reasoning, and reliable numerical computation.

By Tingjia Miao, Wenkai Jin, Jinxin Tan, Muhua Zhang, Xianghe Pang, Zexi Liu, Yuwen Du, Tian Jin, Tu Guo, Zhengliang Zhang, Jingkun Liu, Yuelin Hu, Jiejun Zhang, Yunjie Huang, Yuhan Wang, Wenbo Li, Yinuo Gao, Shuo Chen, Rui Ye, Yuzhi Zhang, Linfeng Zhang, Kun Chen, Wei Wang, Weinan E, Siheng Chen
arXiv Machine Learning
Jun 9

Towards Automated Kernel Generation in the Era of LLMs

arXiv:2601. 15727v3 Announce Type: replace Abstract: The performance of modern AI systems is fundamentally constrained by the quality of their underlying GPU kernels, which translate high-level algorithmic semantics into low-level hardware operations.

By Yang Yu, Peiyu Zang, Chi Hsu Tsai, Haiming Wu, Yixin Shen, Jialing Zhang, Haoyu Wang, Zhiyou Xiao, Jingze Shi, Yuyu Luo, Wentao Zhang, Chunlei Men, Guang Liu, Yonghua Lin
arXiv AI
Jun 2

AI-PROPELLER: Warehouse-Scale Interprocedural Code Layout Optimization with AlphaEvolve

arXiv:2606. 00131v1 Announce Type: cross Abstract: Post-link optimizers (PLOs) such as Propeller and BOLT have demonstrated that precise, profile-guided code layout can extract significant performance gains from heavily optimized binaries.

By Chaitanya Mamatha Ananda, Rajiv Gupta, Mircea Trofin, Aiden Grossman, Sriraman Tallam, Xinliang David Li, Amir Yazdanbakhsh
arXiv AI
Jul 7

LLMoxie: Exploring Agentic AI for Scientific Software Development

arXiv:2607. 02703v1 Announce Type: cross Abstract: 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.

By Landung Setiawan, Anant Mittal, Cordero Core, Anshul Tambay, Carlos Garcia Jurado Suarez, David A. C. Beck, Andrew J. Connolly, Vani Mandava
arXiv AI
Jul 28

An Agentic Orchestration of Atomistic Simulations

arXiv:2607. 22596v1 Announce Type: new Abstract: Atomistic simulations are central to materials design, but their execution involves complex, multi-step workflows that require significant human expertise.

By Rahul Somasundaram, Adela Habib, Khanh Dang, Sachin Shivakumar, Ryley G. Hill, Golo Wimmer, Avanish Mishra, Aleksandra Pachalieva, Arthur Lui, Hari Viswanathan, Michael Grosskopf, Saryu Fensin, Russell Bent, Nathan DeBardeleben, Earl Lawrence