arXiv:2606. 09774v1 Announce Type: new Abstract: Advanced scientific simulators expose specialized input languages that turn simulation goals into executable configurations, but learning them can cost domain scientists hours to days.
By Matthew Ho, Brian Liu, Jixuan Chen, Audrey Wang, Lianhui Qin
arXiv:2607. 00436v1 Announce Type: new Abstract: Large language model agents are increasingly connected to scientific software, yet it remains unclear when tool access makes scientific computation more reliable rather than merely more complex.
By Ke Zhang, Sahchit Chundur, Mohammad Javad Qomi, Maziar Raissi
arXiv:2608.24650v1 Announce Type: cross
Abstract: System-level simulation is an essential tool for exploring the rapidly expanding design space of LLM serving systems, where real deployments remain c...
By Wonung Kim, Hyunmin Choi, Minsu Kim, Jaehong Cho, Yeongwook Kim, Jongse Park
The paper introduces Pufibara, an agent harness designed to maintain engineering state and evidence across revisions in Modelica-based physical system modeling. It also presents a 232-task Modelica Agent Workflow Benchmark covering model repair, generation, and tuning, evaluated by an external benchmark-owned evaluator. Experiments show Pufibara outperforms Claude Code in task success and resource efficiency across two LLM backends.
By Zizhe Wang
MOOSEnger is a simulation‑aware AI agent framework designed for the MOOSE ecosystem, integrating an interchangeable reasoning model with domain knowledge, revised simulation artifacts, MOOSE‑specific validation, and executable solver feedback. Its generate‑check‑repair‑run workflow uses MOOSE knowledge retrieval, HIT‑aware parsing, syntax metadata, diagnostics, and revision‑controlled authoring to bind evidence to each input revision and guide bounded repair before acceptance. Across 200 prompts, MOOSEnger raises executable success from 5% to 89.5% with GPT‑5.2 and from 0% to 76.5% with Gemma 4 31B, and a ten‑case benchmark shows all generated inputs meet semantic alignment, with eight also meeting numerical‑accuracy criteria.
By Mengnan Li, Jason Miller, Zaid Abulawi, Zachary Prince, Matt Kohl, Jack M. Cavaluzzi, Guillaume Giudicelli, Casey T. Icenhour, Alexander Lindsay, Cody Permann
arXiv:2608. 10366v1 Announce Type: new Abstract: Real-world data science involves long-horizon workflows that span data wrangling, exploration, modeling, visualization, and validation, and require coordinated use of tools such as notebooks, IDEs, terminals, browsers, and databases within real operating environments.
By Mizanur Rahman, Mohammed Saidul Islam, Ridwan Mahbub, Md Tahmid Rahman Laskar, Shafiq Joty, Enamul Hoque Prince
arXiv:2609.24165v1 Announce Type: new
Abstract: Synchrotron data reduction, detector calibration followed by azimuthal integration of terabyte-scale diffraction series, is a multi-step, expert-bound...
By Pawan K. Tripathi, Hemant Sharma, Andrew Chuang, Mathew J. Cherukara
arXiv:2609.12533v1 Announce Type: cross
Abstract: Real-world Earth observation (EO) agents must translate high-level scientific questions into executable workflows to acquire observations, prepare da...
By Zhutao Lv, Chenhao Dang, Yi Feng, Yanpei Gong, Xiaolei Wang, Junyan Ye, Conghui He, Weijia Li
arXiv:2606. 20785v2 Announce Type: replace Abstract: Collecting computer use data from human demonstrations is expensive and slow, motivating the need for scalable generation strategies.
By Ahmed Awadallah, Sahil Gupta, Yash Lara, Yadong Lu, Hussein Mozannar, Akshay Nambi, Zach Nussbaum, Yash Pandya, Aravind Rajeswaran, Corby Rosset, Alexey Taymanov, Luiz do Valle, Vibhav Vineet, Spencer Whitehead, Andrew Zhao
arXiv:2607. 03451v1 Announce Type: cross Abstract: While skill optimization for autonomous agents has gained traction, existing methods rely on complex pipelines.
By Yifei Shen, Bo Li, Xinjie Zhang
La Agente ’Optima is an agentic framework that builds and manages Bayesian optimization campaigns for self‑driving laboratories, separating large language model reasoning from campaign execution. It maintains a persistent optimization state, allowing consistent repetitive loops and auditable decisions, and only returns control to the agent when interpretation or revision is needed. In tests on digital discovery tasks and physical platforms, it corrected measurement failures, improved yields, and recommended formulation changes, outperforming human‑directed campaigns in cost and material usage.
By Marcel M\"uller, Jiaru Bai, Willi Gottstein, Abhijoy Mandal, Mohammad Nazeri, Elia Savino, Yanlin Fang, Sujoy Das, Sergio Pablo Garc\'ia Carrillo, Yeonghun Kang, Juan B. P\'erez-S\'anchez, Simone Pilon, Martin Fitzner, Timothy No\"el, Frank Gu, Varinia Bernales, Al\'an Aspuru-Guzik
SPADE (Self-Play in Adaptive Synthetic Executable Environments) is a reinforcement‑learning framework where a single large language model acts as both an Environment Designer—creating executable, long‑horizon training environments—and a Reasoning Agent—learning to act within those environments. The framework uses a regret signal based on the difference between rewarded performance with and without privileged hints to guide the Designer toward environments that are challenging yet solvable. Experiments show that, when scaled to 30‑billion‑parameter models, SPADE outperforms fixed‑environment baselines by significant margins across math, science, code, and reasoning benchmarks, and improves tool‑use performance on BFCL‑v4 and ACEBench‑Agent.
whyItMatters":"By making environment design a learnable component, SPADE enables continuous self‑improvement and demonstrates that adaptive, self‑generated training environments can substantially boost language‑model performance across diverse tasks."
By Bo Liu, Simon Yu, Yiding Jiang, Ao Qu, Andrew Zhao, Zichen Liu, Junsu Kim, Zijian Zhou, Seungone Kim, Tongzheng Ren, Mickel Liu, Hanfei Yu, Zhaorun Chen, Weiyan Shi, Paul Pu Liang, Luke Zettlemoyer, Yejin Choi, Natasha Jaques