arXiv:2606. 31366v1 Announce Type: cross Abstract: Driven by high-throughput experimentation, computational modeling, and artificial intelligence (AI), materials data has expanded at an unprecedented rate.
arXiv:2607. 21660v1 Announce Type: cross Abstract: Artificial intelligence (AI) is accelerating materials prediction and design by enabling efficient exploration of chemical and structural spaces, with particular promise for novel materials discovery.
arXiv:2601. 21527v3 Announce Type: replace-cross Abstract: Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening.
arXiv:2511. 14007v3 Announce Type: replace-cross Abstract: Artificial intelligence (AI) raises expectations of substantial increases in rates of technological progress, but such anticipations are often not connected to detailed ground-level studies of AI use in innovation processes.
The article examines how scientific literature, often used as a data source for AI in materials science, can contain hidden inaccuracies such as text-figure mismatches, ambiguous axis labels, unit inconsistencies, and missing measurement context. By tracing solid electrolyte conductivity values from original papers to curated datasets, the authors uncover recurrent errors that are numerically plausible yet hard to detect, leading to significant label noise in AI models. A cross-database example demonstrates that ambiguous reporting can cause a 100‑fold error in conductivity values, underscoring the need for traceable reporting, rigorous curation, and validation practices in AI-driven discovery.
arXiv:2604. 22938v2 Announce Type: replace-cross Abstract: The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets.
arXiv:2607. 11526v1 Announce Type: cross Abstract: Material property prediction (MPP) infers key properties from chemical composition and structure, accelerating the discovery and optimization of novel materials.
arXiv:2607. 17100v1 Announce Type: cross Abstract: An AI research agent can improve the score it sees without finding a modelling change that works on new materials.
The article discusses how the rapid development of artificial intelligence (AI) and machine learning (ML) is transforming chemical engineering by influencing problem formulation, analysis, and solution across a wide range of applications, from atomic-scale simulations to industrial operations. It highlights recent methodological advances and representative uses, noting a shift from purely black-box models to hybrid and physics-informed frameworks that incorporate conservation laws, thermodynamic consistency, and structural constraints. These integrated approaches enhance robustness, reliability, and human-AI collaboration, ultimately amplifying rather than replacing core chemical engineering principles.
arXiv:2606. 20753v2 Announce Type: replace-cross Abstract: Polymeric materials underpin modern technologies spanning energy storage, microelectronics, healthcare and sustainable manufacturing.
arXiv:2607. 09806v1 Announce Type: cross Abstract: Artificial intelligence (AI) is transforming scientific discovery, but its effectiveness is fundamentally limited by the availability of structured scientific knowledge.
arXiv:2608. 15776v1 Announce Type: cross Abstract: Despite the powerful multi-scale modeling methods and high-throughput infrastructures established in the materials community, real material computation workflows remain fragmented and heavily manual, requiring researchers to constantly bridge software tools, data analysis, and intermediate decisions.
The paper introduces a perturbation-based framework to evaluate quality metrics for large language model (LLM) generated Asset Administration Shells (AAS). By systematically degrading AAS outputs across multiple dimensions, the study identifies that exact property name matching and value-based recall, along with name-based F1 score, best reflect quality changes. Experiments on 6,400 AAS instances from 200 products across GPT‑4o‑mini, Qwen3, and DeepSeek‑R1 reveal how different perturbations affect metrics and highlight variations among model families and product segments.