Scientific Code Generation

Overview

The field studies how to generate and adapt code for scientific tasks such as solving partial differential equations, configuring simulators, reproducing papers, and analyzing experimental data. Common approaches combine language models with documentation retrieval, task decomposition, specialized agents, and execution feedback; search, evolutionary methods, and training on scientific code are also used. Evaluation increasingly checks numerical accuracy, physical behavior, and fidelity to a paper’s methods—not just whether code runs. A central challenge is that runnable programs can still encode the wrong science, while tacit knowledge, large-scale workflows, and expert judgment remain difficult to capture and verify.

Latest papers

CardsList

53 papers3 papers in the last four weeks, against 2 the four weeks before. 0.0% of all new papers.

  1. MUSE: Multi-Level Memory with Selective Runtime Injection for Scientific Coding Agents

    Oct 28, 2026Haoran Jin, Defu Lian, Xiting Wang +1LLM Agent MemoryMemory Management for LLM Agents

  2. Rules to Tools: Executable Checks for LLM Agents in Scientific Computing

    Sep 29, 2026Jingjie Ning, Guojiang Zhao, Chen Xu +4Automated Program RepairTool-Using Agents

  3. Towards Certificate-Driven Software Porting: A Self-Improving Agentic Harness for Scientific Program Optimization

    Sep 28, 2026Piyush Jha, Aishik Ghosh, Vijay GaneshCode TranslationGPU Kernel Optimization

  4. SciWalker: Synthesizing Scientific Coding Problems with Operator Graphs and Execution Feedback

    Sep 24, 2026Chenxi Li, Wenxuan Zeng, Yun Luo +4Execution-Guided Code GenerationScientific Code Generation

  5. AutoRecLab: Describe the Experiment, Get the Code!

    Sep 18, 2026Moritz Baumgart, Philipp Meister, Justus Krell +3Scientific Code GenerationAgentic Code Generation

  6. ReproAgent: Contract-Guided Paper-to-Code Reproduction

    Aug 25, 2026Xue Hu, Zewei Pan, Zhongyuan Wang +3Scientific Code GenerationAgentic Code Generation

  7. SA-Bench: Evaluating Semantic Alignment in LLM-Based Paper Reproduction

    Aug 25, 2026Xue Hu, Zewei Pan, Zeli Su +2ML ReproducibilityScientific Code Generation

  8. Idea Search: Guiding Tree Search with Ideas to Explore Diverse Scientific Methods

    Aug 9, 2026Xuefei Julie Wang, Hao Cui, Michael P. Brenner +1Inference-Time SearchAutomated Algorithm Discovery

  9. SciCode-Verified: How Benchmark Defects Underestimated the Scientific-Coding Ability of Language Models

    Aug 5, 2026Sihan Hu, Lyuhan Huang, Youjin Deng +1LLM EvaluationScientific Code Generation

  10. MDArena: Evaluating Coding Agents on Realistic Molecular Dynamics Workflows

    Jul 31, 2026Nithishwer Mouroug Anand, Wei-Tse Hsu, Kyle Vaccaro +6Coding AgentsScientific Code Generation

  11. Enhancing SLMs for Sustainable Code Optimization in Radio-Astronomy

    Jul 23, 2026Elisa Chiarotto, Jingbo Li, P. Chris Broekema +1Large Language Model-Guided OptimizationCode Generation

  12. Automated Synthesis and Adversarial Validation of Executable Causal Research Pipelines

    Jul 23, 2026Irena Girshovitz, Dan Zeltzer, Ran Gilad-BachrachAI-Assisted Scientific ResearchScientific Code Generation

  13. SciCodePile: A 128GB Corpus and Executable Benchmark for Challenging Scientific Code Generation

    Jul 21, 2026Weifeng Sun, Ye Fan, Yuchen Chen +6Scientific Code GenerationCode Generation Evaluation

  14. From Overload to Insights: How AI Agents Can Support Scientists in Analyzing Complex Data

    Jul 18, 2026Tim Fuchs, Luca Gelisio, Steffen Hauf +1AI for ScienceAI-Assisted Scientific Research

  15. LQCDMaster: Agentic Scientific Computing for Lattice Quantum Chromodynamics Research

    Jul 16, 2026Haofei Gao, Tingjia Miao, Wenkai Jin +12Scientific Code GenerationHigh-Energy Physics

  16. Reinforcement Learning with Verifiable Physics: Post-training LLMs with Continuous Rewards

    Jul 11, 2026Pengfei Cai, Utkarsh Utkarsh, Alan Edelman +2RL for Code GenerationScientific Code Generation

  17. Plainbook: Data Science, in Plain Language

    Jul 7, 2026Luca de Alfaro, Mathis Aubert, Ranjit Jhala +2Scientific Code GenerationScientific Reproducibility

  18. LLMoxie: Exploring Agentic AI for Scientific Software Development

    Jul 2, 2026Landung Setiawan, Anant Mittal, Cordero Core +5Scientific Code GenerationAI Agent Governance

  19. A Self-Evolving Agentic System for Automated Generation and Execution of Biological Protocols

    Jun 30, 2026Yankai Jiang, Weiting Tang, Haoran Sun +11Scientific Code GenerationLaboratory Automation

  20. Auto-Configuring Scientific Simulators with Lightweight Coding-Agent Adapters

    Jun 8, 2026Matthew Ho, Brian Liu, Jixuan Chen +2Coding AgentsScientific Code Generation

  21. A case study of evaluating AI agents on a neuroscience data-to-discovery pipeline

    Jun 5, 2026Kai A. Horstmann, Ethan Lin, Alice A. Robie +2AI Agent EvaluationScientific Code Generation

  22. GRAIL: AI translation for scientists application workflow on satellite data

    May 23, 2026Zhuocheng Shang, Ahmed EldawyCode TranslationScientific Code Generation

  23. CVEvolve: Autonomous Algorithm Discovery for Unstructured Scientific Data Processing

    May 12, 2026Ming Du, Xiangyu Yin, Yanqi Luo +4Automated Algorithm DiscoveryScientific Code Generation

  24. PDEAgent-Bench: A Multi-Metric, Multi-Library Benchmark for PDE Solver Generation

    May 10, 2026Zhen Hang, Yushan Yashengjiang, Junhui Li +21PDE SolvingBenchmark Design

  25. Your Simulation Runs but Solves the Wrong Physics: PDE-Grounded Intent Verification for LLM-Generated Multiphysics Simulation Code

    May 10, 2026Zhenghan Song, Yulong Liu, Cheng Wan +4LLM Self-CorrectionScientific Code Generation

  26. MolViBench: Evaluating LLMs on Molecular Vibe Coding

    May 4, 2026Jiatong Li, Yuxuan Ren, Weida Wang +4AI-Assisted Scientific ResearchScientific Code Generation

  27. HepScript: A Dual-Use DSL for Human-AI Collaborative Data Analysis Workflows in High-Energy Physics

    May 2, 2026Junkun Jiao, Tong Liu, Ke Li +6Scientific Code GenerationHigh-Energy Physics