arXiv:2608. 10792v1 Announce Type: new Abstract: Autonomous chemistry increasingly depends on environments in which agents can repeatedly act, observe, and adapt.
Machine-generated by The Flow from the publisher's headline and feed description — not written or checked by a human. The full article lives at arXiv AI.
arXiv:2602. 17902v2 Announce Type: replace Abstract: Large language models (LLMs) can plan scientific workflows and generate code, but these capabilities do not specify how scientific state is validated, transferred and recorded across heterogeneous computational and experimental operations.
arXiv:2608. 07637v1 Announce Type: new Abstract: Long-running molecular simulation campaigns require repeated continuation from saved states, provenance-aware progression, adaptive assessment, and occasional interpretation of workflow conditions that cannot be resolved safely by fixed rules.
Mimir is a physics‑grounded large language model agent designed for long‑horizon irrigation control. It operates on two timescales: a fast scale that uses a structured physical interface and deterministic simulator to validate and refine LLM proposals before execution, and a slow scale that consolidates recurrent failure patterns into persistent contextual principles. Across multiple sites, crops, and years, Mimir achieves the lowest aggregate control cost and reduces irrigation usage by about 51% compared to historical schedules, while ablation studies confirm the importance of forward simulation, verified revision, and persistent context.
OpenAI4S is an open‑source scientific research agent that treats code as action and science as sessions, combining a persistent computing runtime with structured session management. It uses tool calls for orchestration, executes code cells in persistent Python and R kernels, and records an append‑only Action Ledger, per‑cell execution logs, versioned artifacts, environment snapshots, and workspace checkpoints to preserve provenance and enable session recovery, branching, and extension. Evaluated on 36 research scenarios—including retrosynthesis, molecular dynamics, and protein design—OpenAI4S achieved a higher overall score (7.83) than a general‑purpose coding harness, especially on long‑horizon, computation‑intensive workflows, though reproducibility remains an open challenge. whyItMatters":"The system demonstrates that persistent execution coupled with session‑level provenance can enhance the reliability of AI‑assisted scientific workflows, as evidenced by its superior performance across diverse research scenarios."
arXiv:2608.23104v1 Announce Type: cross Abstract: Molecular science represents an important frontier for LLM-based agents. Unlike general agents that mainly operate over natural language, code, or we...
arXiv:2608. 06961v1 Announce Type: new Abstract: Early-stage molecular design is an iterative process, not just a task of generating molecules.