The paper presents a methodological framework that links the FINALES experiment orchestration system with the Kadi4Mat research data management ecosystem to create interoperable, automated workflows for battery research. By coordinating experiment planning, execution, data handling, and analysis across distributed sites, the framework enables reproducible, end‑to‑end experimental pipelines. The authors demonstrate its utility by studying sodium‑ion coin cell formation, using a Gaussian process model to map formation parameters to electrochemical performance and identify promising experimental regions.
arXiv:2607. 09762v1 Announce Type: new Abstract: Public battery aging datasets are a critical asset for advanced health management, but their practical use is often limited by inconsistent formats, unclear schemas, and metadata scattered across repositories and publications.
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:2607. 16038v1 Announce Type: new Abstract: Scientific work increasingly spans heterogeneous artifacts -- papers, code, datasets, scientific file formats, model outputs, figures, manuscripts, and team decisions -- yet general-purpose AI assistants rarely preserve these objects as a coherent, auditable research state.
The paper extends Co‑Scientist, a Gemini‑based multi‑agent system, and validates it in real‑world scientific settings. In materials science it designed a safe precursor route for MXenes and achieved single‑attempt growth of monolayer MoS₂, MoSe₂, and WS₂. In biology it predicted swarming phenotypes of engineered E. coli, and in computer science it discovered a superior inference‑time scaling architecture for HealthBench. A double‑blind study with 30 experts showed that Co‑Scientist’s reliability modules reduce hallucination and plagiarism while improving research safety.
AutoREC is an open‑source Python platform that uses reinforcement learning to automatically generate equivalent circuit models (ECMs) from electrochemical impedance spectroscopy (EIS) data. The platform frames ECM generation as a Markov decision process, training a Double Deep Q‑Network agent that iteratively modifies circuit topologies based on state, actions, and model feedback. It supports end‑to‑end workflows—including EIS preprocessing, agent training, ECM generation, and visualization—and has been demonstrated on synthetic datasets and real experimental spectra from batteries, corrosion, oxygen evolution, and CO₂ reduction systems.
arXiv:2607. 23886v1 Announce Type: cross Abstract: X-ray absorption spectroscopy (XAS) is central to understanding the local electronic and atomic structure of materials, yet most published spectra remain inaccessible to data-driven analysis because they are embedded in figures and described through fragmented textual context in the literature.
The article reviews how Large Models (LMs) based on Transformer architectures and self‑supervised pre‑training can address longstanding challenges in Battery Prognostics and Health Management (BPHM). It surveys LM applications across data scarcity, generalization, interpretability, and system automation, and outlines a roadmap for future research, including collaborative data ecosystems, validation, trustworthiness, and efficient deployment. The review aims to guide researchers and practitioners in developing next‑generation battery management systems that are safe, reliable, and autonomous throughout battery lifecycles.
ProtoMI is a literature‑driven framework that learns structural priors from 126 reported boron‑containing electrolyte additives and applies them to screen 179,977 unlabeled candidates. Using graph contrastive learning, it identifies seven interpretable prototypes and adapts them through semi‑supervised contrastive learning, achieving enrichment factors of 9.2–45.6 while evaluating less than 2% of the candidate space. The method led to the discovery of four commercially accessible additives, including TNDB, which improves high‑temperature LiFePO4||graphite cycling by 34.93% and forms protective interphases that suppress solvent decomposition and Fe deposition.
arXiv:2608. 04942v1 Announce Type: cross Abstract: CheMLFlow is an open-source platform for building and executing end-to-end, high-throughput, and agentic workflows for scientific and technological applications.
arXiv:2603. 01421v3 Announce Type: replace Abstract: While large language models accelerate scientific discovery, existing agents face severe limitations in adaptability, domain generalization, and multimodal scalability, often struggling to autonomously process raw, domain-specific experimental data.
arXiv:2607. 11079v1 Announce Type: new Abstract: Existing benchmarks for scientific data analysis evaluate LLMs primarily on code execution or workflow completion, overlooking that scientific analysis serves to support distinct types of scientific claims: hypothesis exploration, statistical inference, mechanistic explanation, each with different assumptions and validity criteria.
arXiv:2608.31076v1 Announce Type: cross Abstract: Autonomous scientific research agents are increasingly applied to end-to-end scientific workflows, including literature review, data analysis, experi...