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The current structure-centric paradigm in artificial intelligence (AI)-driven materials discovery, despite delivering thousands of candidate structures, is stalling at a critical barrier: the synthesizability gap. We argue that closing this…

材料科学 · 物理学 2026-05-04 Guillaume Lambard

The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…

材料科学 · 物理学 2024-11-06 Adam M. Krajewski

Significant investments to upgrade and construct large-scale scientific facilities demand commensurate investments in R&D to design algorithms and computing approaches to enable scientific and engineering breakthroughs in the big data era.…

With the rapid growth of research publications, empowering scientists to keep oversight over the scientific progress is of paramount importance. In this regard, the Leaderboards facet of information organization provides an overview on the…

计算与语言 · 计算机科学 2021-09-28 Salomon Kabongo , Jennifer D'Souza , Sören Auer

The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…

机器学习 · 统计学 2017-07-20 Julia Ling , Max Hutchinson , Erin Antono , Sean Paradiso , Bryce Meredig

The construction industry increasingly relies on visual data to support Artificial Intelligence (AI) and Machine Learning (ML) applications for site monitoring. High-quality, domain-specific datasets, comprising images, videos, and point…

计算机视觉与模式识别 · 计算机科学 2025-12-11 Ruoxin Xiong , Yanyu Wang , Jiannan Cai , Kaijian Liu , Yuansheng Zhu , Pingbo Tang , Nora El-Gohary

Materials are the foundation of modern society, underpinning advancements in energy, electronics, healthcare, transportation, and infrastructure. The ability to discover and design new materials with tailored properties is critical to…

Accelerating the discovery of mechanical properties in combinatorial materials requires autonomous experimentation that accounts for both instrument behavior and experimental cost. Here, an automated nanoindentation (AE-NI) framework is…

Recent advances in Foundation Models for Materials Science are poised to revolutionize the discovery, manufacture, and design of novel materials with tailored properties and responses. Although great strides have been made, successes have…

机器学习 · 计算机科学 2025-06-16 Michael Buzzy , Andreas Robertson , Peng Chen , Surya Kalidindi

The availability of tera-byte scale experiment data calls for AI driven approaches which automatically discover scientific models from data. Nonetheless, significant challenges present in AI-driven scientific discovery: (i) The annotation…

计算机视觉与模式识别 · 计算机科学 2023-11-23 Md Nasim , Anter El-Azab , Xinghang Zhang , Yexiang Xue

Digital platforms increasingly support collaboration across organizations, yet many remain constrained by fragmented data and limited transparency. This paper presents the Global Solutions Initiative (GSI) D-Hub, a data-driven coordination…

As the interplay between human-generated and synthetic data evolves, new challenges arise in scientific discovery concerning the integrity of the data and the stability of the models. In this work, we examine the role of synthetic data as…

Data-driven methods, in particular machine learning, can help to speed up the discovery of new materials by finding hidden patterns in existing data and using them to identify promising candidate materials. In the case of superconductors,…

超导电性 · 物理学 2022-12-15 Timo Sommer , Roland Willa , Jörg Schmalian , Pascal Friederich

Metamaterials, engineered materials with architected structures across multiple length scales, offer unprecedented and tunable mechanical properties that surpass those of conventional materials. However, leveraging advanced machine learning…

The increasing demand for artificial intelligence (AI) workloads across diverse computing environments has driven the need for more efficient data management strategies. Traditional cloud-based architectures struggle to handle the sheer…

Information retrieval (IR) in dynamic data streams is a crucial task, as shifts in data distribution degrade the performance of AI-powered IR systems. To mitigate this issue, memory-based continual learning has been widely adopted for IR.…

信息检索 · 计算机科学 2026-01-13 HuiJeong Son , Hyeongu Kang , Sunho Kim , Subeen Ho , SeongKu Kang , Dongha Lee , Susik Yoon

Grey literature is essential to software engineering research as it captures practices and decisions that rarely appear in academic venues. However, collecting and assessing it at scale remains difficult because of their heterogeneous…

The development of materials science is undergoing a shift from empirical approaches to data-driven and algorithm-oriented research paradigm. The state-of-the-art platforms are confined to inorganic crystals, with limited chemical space,…

材料科学 · 物理学 2025-07-08 Jifeng Wang , Jiazhe Ju , Ying Wang

In this paper, we propose a method to automatically classify AI-related documents from large-scale literature databases, leading to the creation of an AI-related literature dataset, named DeepDiveAI. The dataset construction approach…

人工智能 · 计算机科学 2025-04-23 Zhou Xiaochen , Liang Xingzhou , Zou Hui , Lu Yi , Qu Jingjing

Materials informatics has emerged as a promisingly new paradigm for accelerating materials discovery and design. It exploits the intelligent power of machine learning methods in massive materials data from experiments or simulations to seek…