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Machine learning is transforming materials discovery by providing rapid predictions of material properties, which enables large-scale screening for target materials. However, such models require training data. While automated data…

There has been a growing effort to replace manual extraction of data from research papers with automated data extraction based on natural language processing, language models, and recently, large language models (LLMs). Although these…

计算与语言 · 计算机科学 2024-02-22 Maciej P. Polak , Dane Morgan

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

材料科学 · 物理学 2025-08-12 Agada Joseph Oche , Arpan Biswas

The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature…

Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we…

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an…

材料科学 · 物理学 2023-12-12 Rachel K. Luu , Markus J. Buehler

Materials discovery and design aim to find compositions and structures with desirable properties over highly complex and diverse physical spaces. Traditional solutions, such as high-throughput simulations or machine learning, often rely on…

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

材料科学 · 物理学 2024-09-26 Santiago Miret , N M Anoop Krishnan

Materials databases built from calculations based on density functional approximations play an important role in the discovery of materials with improved properties. Most databases thus constructed rely on the generalized gradient…

材料科学 · 物理学 2025-04-30 Akhil S. Nair , Lucas Foppa , Matthias Scheffler

The ever-increasing number of materials science articles makes it hard to infer chemistry-structure-property relations from published literature. We used natural language processing (NLP) methods to automatically extract material property…

Machine learning (ML) is increasingly vital for smart-grid research, yet restricted access to realistic, diverse data - often due to privacy concerns - slows progress and fuels doubts within the energy sector about adopting ML-based…

计算与语言 · 计算机科学 2025-02-06 Mohannad Takrouri , Nicolás M. Cuadrado , Martin Takáč

The large set of technical documentation of legacy accelerator systems, coupled with the retirement of experienced personnel, underscores the urgent need for efficient methods to preserve and transfer specialized knowledge. This paper…

信息检索 · 计算机科学 2025-09-03 Qing Dai , Rasmus Ischebeck , Maruisz Sapinski , Adam Grycner

Data-driven research in Additive Manufacturing (AM) has gained significant success in recent years. This has led to a plethora of scientific literature to emerge. The knowledge in these works consists of AM and Artificial Intelligence (AI)…

信息检索 · 计算机科学 2024-07-29 Mutahar Safdar , Jiarui Xie , Andrei Mircea , Yaoyao Fiona Zhao

We explore generating factual and accurate tables from the parametric knowledge of large language models (LLMs). While LLMs have demonstrated impressive capabilities in recreating knowledge bases and generating free-form text, we focus on…

计算与语言 · 计算机科学 2024-06-18 Yevgeni Berkovitch , Oren Glickman , Amit Somech , Tomer Wolfson

Two-dimensional (2D) materials have showed widespread applications in energy storage and conversion owning to their unique physicochemical, and electronic properties. Most of the valuable information for the materials, such as their…

计算与语言 · 计算机科学 2025-11-27 Lijun Shang , Yadong Yu , Wenqiang Kang , Jian Zhou , Dongyue Gao , Pan Xiang , Zhe Liu , Mengyan Dai , Zhonglu Guo , Zhimei Sun

Generating insightful and actionable information from databases is critical in data analysis. This paper introduces a novel approach using Large Language Models (LLMs) to automatically generate textual insights. Given a multi-table database…

人工智能 · 计算机科学 2025-03-18 Alberto Sánchez Pérez , Alaa Boukhary , Paolo Papotti , Luis Castejón Lozano , Adam Elwood

Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face…

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…

计算与语言 · 计算机科学 2025-02-11 Shrinidhi Kumbhar , Venkatesh Mishra , Kevin Coutinho , Divij Handa , Ashif Iquebal , Chitta Baral

This paper introduces a system that integrates large language models (LLMs) into the clinical trial retrieval process, enhancing the effectiveness of matching patients with eligible trials while maintaining information privacy and allowing…

信息检索 · 计算机科学 2024-11-01 Georgios Peikos , Pranav Kasela , Gabriella Pasi