arXiv:2610.15236v1 Announce Type: cross Abstract: Condensed matter stands to gain profoundly from widespread adoption of artificial intelligence (AI). However, its current means of data organization...
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. 17216v2 Announce Type: replace Abstract: With the advent of AI agents, automated scientific discovery is becoming an increasingly plausible goal.
arXiv:2607. 19406v1 Announce Type: new Abstract: Structural elucidation from Nuclear Magnetic Resonance (NMR) data remains a fundamental bottleneck across chemistry, materials science, and biology.
CheMLFlow is an open-source platform for building and executing end-to-end, high-throughput, and agentic workflows for scientific and technological applications. CheMLFlow targets a common bottleneck in scientific machine learning development, where researchers often need to assemble data acquisition, curation, representation, model training, validation, screening, interpretation, and reporting into a reproducible pipeline, even when their primary research contribution concerns only one stage.
arXiv:2609.39090v1 Announce Type: cross Abstract: Data-driven machine learning (ML) techniques have become an essential tool in many domains of science. Their application to atomistic simulations of...
arXiv:2606. 13578v1 Announce Type: cross Abstract: Scientific laboratories increasingly rely on AI systems to reason about experiments, but the physical act of doing science remains largely outside their reach.
arXiv:2607. 02771v1 Announce Type: new Abstract: Leadership computing facilities steward large-scale scientific datasets that routinely require substantial transformation before serving as AI training data.
arXiv:2606. 09541v1 Announce Type: cross Abstract: Single-Molecule Force Spectroscopy (SMFS) provides unprecedented insights into biomolecular mechanics, yet the high-throughput generation of force-extension trajectories creates a severe data curation bottleneck.
arXiv:2605.02003v3 Announce Type: replace Abstract: Machine Learning (ML) has transformed many scientific fields, yet key applications still lack standardized benchmarks. Raman spectroscopy, a widely...
arXiv:2509. 13805v4 Announce Type: replace-cross Abstract: Foundation models have revolutionized natural language processing through a ``train once, deploy anywhere'' paradigm, where a single pre-trained model adapts to countless downstream tasks without retraining.
The review discusses how two‑phase heat transfer—critical for boiling, condensation, and thermal management—poses challenges for data reuse due to its complex interfacial physics. It surveys open datasets, machine‑learning techniques, and reusable software, organizing them with a spatial‑plus‑temporal dimensionality taxonomy (S+TD) that links data types to AI tasks such as regression, sequence learning, and image/video analysis. The paper proposes a roadmap for physics‑aware open data, including metadata standards, maturity labels, benchmark splits, and community databanks, emphasizing that progress in two‑phase AI relies as much on robust data infrastructure as on model design.